D-(+)-纤维三糖 | 33404-34-1

• 物质功能分类: 生物化工 - 糖类化合物 - 寡糖
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: D-(+)-纤维三糖
• 中文别名: 纤维三糖
• 英文名称: cellotriose
• 英文别名: (2R,3R,4R,5R)-4-(((2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-2,3,5,6-tetrahydroxyhexanal；(2R,3R,4R,5R)-4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal
• CAS: 33404-34-1
• 化学式: C₁₈H₃₂O₁₆
• 分子量: 504.442
• InChiKey: RXVWSYJTUUKTEA-JTCQMAGDSA-N

物化性质

• 熔点：
  >165°C dec.
• 沸点：
  958.9±65.0 °C(Predicted)
• 密度：
  1.75±0.1 g/cm3(Predicted)
• 溶解度：
  在水中的溶解度为50mg/mL，透明，无色

计算性质

• 辛醇/水分配系数(LogP)：
  -7.2
• 重原子数：
  34
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  277
• 氢给体数：
  11
• 氢受体数：
  16

安全信息

• 安全说明：
  S22,S24/25
• WGK Germany：
  3
• 海关编码：
  29400090
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Revision number: 6
Cellotriose
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Cellotriose
Product name:


6
Revision number:

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Section 2. HAZARDS IDENTIFICATION
GHS classification
Not classified
PHYSICAL HAZARDS
Not classified
HEALTH HAZARDS
Not classified
ENVIRONMENTAL HAZARDS
GHS label elements, including precautionary statements
None
Pictograms or hazard symbols
No signal word
Signal word
None
Hazard statements
None
Precautionary statements:

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance
Substance/mixture:
Cellotriose
Components:
>95.0%(HPLC)
Percent:
33404-34-1
CAS Number:
Glc β(1-4)Glc β(1-4)Glc
Synonyms:
C18H32O16
Chemical Formula:

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Section 4. FIRST AID MEASURES
Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Inhalation:
Get medical advice/attention if you feel unwell.
Remove/Take off immediately all contaminated clothing. Rinse skin with
Skin contact:
water/shower. If skin irritation or rash occurs: Get medical advice/attention.
Rinse cautiously with water for several minutes. Remove contact lenses, if present
Eye contact:
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Get medical advice/attention if you feel unwell. Rinse mouth.
Ingestion:
A rescuer should wear personal protective equipment, such as rubber gloves and air-
Protection of first-aiders:
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Dry chemical, foam, water spray, carbon dioxide.
Suitable extinguishing
media:
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Cellotriose

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Section 5. FIRE-FIGHTING MEASURES
When extinguishing fire, be sure to wear personal protective equipment.
Special protective
equipment for firefighters:

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Section 6. ACCIDENTAL RELEASE MEASURES
Use personal protective equipment. Keep people away from and upwind of spill/leak.
Personal precautions,
protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
emergency procedures: roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Handling is performed in a well ventilated place. Wear suitable protective equipment.
Technical measures:
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a local exhaust if dust or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Keep container tightly closed. Store in a freezer.
Storage conditions:
Store away from incompatible materials such as oxidizing agents.
Heat-sensitive
Comply with laws.
Packaging material:

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Install a closed system or local exhaust as possible so that workers should not be
Engineering controls:
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Dust respirator. Follow local and national regulations.
Protective gloves.
Hand protection:
Safety glasses. A face-shield, if the situation requires.
Eye protection:
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Solid
Physical state (20°C):
Crystal- Powder
Form:
White - Almost white
Colour:
No data available
Odour:
pH: No data available
Melting point/freezing point:209°C
No data available
Boiling point/range:
No data available
Flash point:
Flammability or explosive
limits:
No data available
Lower:
No data available
Upper:
No data available
Relative density:
Solubility(ies):
No data available
[Water]
No data available
[Other solvents]

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Section 10. STABILITY AND REACTIVITY
Stable under proper conditions.
Chemical stability:
Possibility of hazardous No special reactivity has been reported.
reactions:
Cellotriose

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Section 10. STABILITY AND REACTIVITY
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide
products:

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Section 11. TOXICOLOGICAL INFORMATION
No data available
Acute Toxicity:
No data available
Skin corrosion/irritation:
No data available
Serious eye
damage/irritation:
No data available
Germ cell mutagenicity:
Carcinogenicity:
No data available
IARC =
No data available
NTP =
No data available
Reproductive toxicity:

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
No data available
Fish:
No data available
Crustacea:
No data available
Algae:
Persistence / degradability: No data available
No data available
Bioaccumulative
potential(BCF):
Mobility in soil
No data available
Log Pow:
No data available
Soil adsorption (Koc):
No data available
Henry's Law
constant(PaM3/mol):

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Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
Observe all federal, state and local regulations when disposing of the substance.

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Section 14. TRANSPORT INFORMATION
Does not correspond to the classification standard of the United Nations
Hazards Class:
Not listed
UN-No:

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.
Cellotriose

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SECTION 16 - ADDITIONAL INFORMATION
N/A

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  ——	cellopentaose	2240-27-9	C30H52O26	828.727
  D-(+)-纤维四糖	cellotetraose	38819-01-1	C24H42O21	666.585

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  D-(+)-纤维四糖	cellotetraose	38819-01-1	C24H42O21	666.585
  ——	cellopentaose	2240-27-9	C30H52O26	828.727
  纤维六糖	cello-hexaose	2478-35-5	C36H62O31	990.87
  D-纤维二糖	cellobiose	528-50-7	C12H22O11	342.3

反应信息

• 作为反应物：
  描述：

  D-(+)-纤维三糖 在 rice BGlu1 β-glucosidase, Q178A mutant 作用下， 以 aq. acetate buffer 为溶剂， 生成 葡萄糖
  参考文献：
  名称：

  活性位点残基残基对水稻BGlu1及其突变体寡糖结合，水解和糖合酶活性的影响

  摘要：

  稻米BGlu1（Os3BGlu7）是一种糖苷水解酶1β-葡萄糖苷酶，随着聚合度（DP）从2增加到6，水解纤维素寡糖的效率提高，这表明有6个用于糖基残基结合的亚位点。在纤维寡糖复合物的X射线晶体结构及其E176Q酸碱和E386G亲核突变体中，鉴定出五个亚位点。X射线晶体结构表明，纤维四糖在BGlu1 E176Q和E386G中以相似的方式结合，但在BGlu1 E386G / Y341A变异体中以不同的方式结合，其中葡糖基残基4（Glc4）与Q187相互作用而不是被消除的酚基Y341。在这里，我们发现Q187A突变对BGlu1纤维寡糖水解活性或BGlu1 E176Q中寡糖结合的影响很小，对BGlu1 E386G糖合酶活性的影响很小。X射线晶体结构显示，纤维四糖在BGlu1 E176Q / Y341A中的不同位置结合，在其中它与R178和W337直接相互作用，而Q187A突变对纤维四糖的结合几乎没

  DOI：

  10.1002/pro.2556
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 生成 D-(+)-纤维三糖
  参考文献：
  名称：

  The Polymer-homologous Series of Oligosaccharides from Cellulose¹

  摘要：

  DOI：

  10.1021/ja01141a032

文献信息

• Properties of a Metagenome-Derived β-Glucosidase from the Contents of Rabbit Cecum
  作者：Yi FENG、Cheng-Jie DUAN、Li LIU、Ji-Liang TANG、Jia-Xun FENG

  DOI：10.1271/bbb.80664

  日期：2009.7.23

  In this study, a previously cloned β-glucosidase gene, umbgl3B, was heterologously expressed in Escherichia coli, and the biochemical properties of the purified enzyme were characterized. The recombinant enzyme was stable over a wide range of pH values (5.0–9.0) and below 30 °C. It displayed optimum enzymatic activity at pH 6.5 at 40 °C, under condition similar to that in the rabbit cecum, suggesting an active role of the native enzyme in vivo. The recombinant β-glucosidase Umbgl3B showed high activity to aryl β-d-glucosides and low activity to cellooligosaccharides, with a polymerization degree of less than 5. The enzyme had no activity toward long cellooligosaccharides or polysaccharides. The aspartic acid residue, D772, of the wild-type Umbgl3B was predicted as a nucleophile. Mutant D772A was constructed. It showed less than 1/10,000 activity of the wild-type enzyme, but had the same properties, suggesting that residue D772 plays a key role in the enzyme’s activity.

  在本研究中，之前克隆的β-葡萄糖苷酶基因umbgl3B在大肠杆菌中进行异源表达，并对纯化酶的生化性质进行了表征。重组酶在pH值范围（5.0–9.0）和30°C以下稳定。它在pH 6.5和40°C的条件下显示出最佳酶活性，这与兔盲肠中的环境条件相似，表明该酶在体内具有活跃作用。重组β-葡萄糖苷酶Umbgl3B对芳基β-D-葡萄糖苷表现出高活性，而对聚糖寡糖（聚合度小于5）则活性较低。该酶对长链聚糖或多糖没有活性。野生型Umbgl3B的天冬氨酸残基D772被预测为亲核试剂。构建了突变体D772A。它的活性不到野生型酶的1/10,000，但具有相同的性质，表明残基D772在酶的活性中发挥了关键作用。
• Effects of active site cleft residues on oligosaccharide binding, hydrolysis, and glycosynthase activities of rice BGlu1 and its mutants
  作者：Salila Pengthaisong、James R. Ketudat Cairns

  DOI：10.1002/pro.2556

  日期：2014.12

  mode in BGlu1 E176Q and E386G, but in a different mode in the BGlu1 E386G/Y341A variant, in which glucosyl residue 4 (Glc4) interacts with Q187 instead of the eliminated phenolic group of Y341. Here, we found that the Q187A mutation has little effect on BGlu1 cellooligosaccharide hydrolysis activity or oligosaccharide binding in BGlu1 E176Q, and only slight effects on BGlu1 E386G glycosynthase activity

  稻米BGlu1（Os3BGlu7）是一种糖苷水解酶1β-葡萄糖苷酶，随着聚合度（DP）从2增加到6，水解纤维素寡糖的效率提高，这表明有6个用于糖基残基结合的亚位点。在纤维寡糖复合物的X射线晶体结构及其E176Q酸碱和E386G亲核突变体中，鉴定出五个亚位点。X射线晶体结构表明，纤维四糖在BGlu1 E176Q和E386G中以相似的方式结合，但在BGlu1 E386G / Y341A变异体中以不同的方式结合，其中葡糖基残基4（Glc4）与Q187相互作用而不是被消除的酚基Y341。在这里，我们发现Q187A突变对BGlu1纤维寡糖水解活性或BGlu1 E176Q中寡糖结合的影响很小，对BGlu1 E386G糖合酶活性的影响很小。X射线晶体结构显示，纤维四糖在BGlu1 E176Q / Y341A中的不同位置结合，在其中它与R178和W337直接相互作用，而Q187A突变对纤维四糖的结合几乎没
• LIPID MEMBRANE STRUCTURE FOR siRNA INTRACELLULAR DELIVERY
  申请人：NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY

  公开号：US20170273905A1

  公开（公告）日：2017-09-28

  A lipid membrane structure encapsulating an siRNA inside thereof and containing a lipid compound of the formula (I) as a lipid component (R 1 and R 2 represent CH 3 —(CH 2 ) n —CH═CH—CH 2 —CH═CH—(CH 2 ) m —, n represents an integer of 3 to 5, m represents an integer of 6 to 10, p represents an integer of 2 to 7, and R 3 and R 4 represent a C 1-4 alkyl group or a C 2-4 alkenyl group.

  一种脂质膜结构，其中包含一种siRNA并含有一种化合物(I)作为脂质成分（其中R1和R2代表CH3-（CH2）n-CH═CH-CH2-CH═CH-（CH2）m-，n表示3至5的整数，m表示6至10的整数，p表示2至7的整数，R3和R4代表C1-4烷基或C2-4烯基）。
• LIPID MEMBRANE STRUCTURE
  申请人：Harashima Hideyoshi

  公开号：US20130195962A1

  公开（公告）日：2013-08-01

  A lipid membrane structure for delivering a substance to a target cell having satisfactory cell permeability, selectivity for target cell, and in vivo stability, wherein lipid membrane is modified with (a) a polyalkylene glycol bound with a target cell-selective ligand; and (b) a polypeptide comprising a plurality of arginine residues.

  一种脂质膜结构，用于将物质传递到目标细胞，具有令人满意的细胞渗透性、目标细胞选择性和体内稳定性，其中脂质膜被修饰为：(a)与目标细胞选择性配体结合的聚烷基乙二醇;和(b)包含多个精氨酸残基的多肽。
• Lipid membrane structure for intracellular delivery of siRNA
  申请人：NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY

  公开号：US10182987B2

  公开（公告）日：2019-01-22

  A lipid membrane structure encapsulating an siRNA inside thereof and containing a lipid compound of the formula (I) as a lipid component (R1 and R2 represent CH3—(CH2)n—CH═CH—CH2—CH═CH—(CH2)m—, n represents an integer of 3 to 5, m represents an integer of 6 to 10, p represents an integer of 2 to 7, and R3 and R4 represent a C1-4 alkyl group or a C2-4 alkenyl group.

  一种脂质膜结构，在其内部封装 siRNA，并含有式 (I) 的脂质化合物作为脂质成分（R1 和 R2 代表 CH3-(CH2)n-CH═CH-CH2-CH═CH-(CH2)m-，n 代表 3 至 5 的整数，m 代表 6 至 10 的整数，p 代表 2 至 7 的整数，R3 和 R4 代表 C1-4 烷基或 C2-4 烯基）。

表征谱图