(3aR)-2-甲基-5alpha-(乙酰氧基甲基)-6beta,7alpha-二乙酰氧基-3Aalpha,6,7,7Aalpha-四氢-5H-吡喃并[3,2-d]恶唑 | 35954-65-5

分子结构分类

有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物

中文名称

(3aR)-2-甲基-5alpha-(乙酰氧基甲基)-6beta,7alpha-二乙酰氧基-3Aalpha,6,7,7Aalpha-四氢-5H-吡喃并[3,2-d]恶唑

中文别名

——

英文名称

2-methyl-(3,4,6-tri-O-acetyl-1,2-dideoxy-α-D-glucopyranoso)[1,2-d]-2-oxazoline

英文别名

2-methyl-(3,4,6-tri-O-acetyl-1,2-dideoxy-α-D-glucopyrano)-[2,1-d]-2-oxazoline；2-Methyl-(3,4,6-tri-O-acetyl-1,2-dideoxy-alpha-D-glucopyrano)-[2,1-D]-2-oxazoline；[(3aR,5R,6S,7R,7aR)-6,7-diacetyloxy-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl]methyl acetate

(3aR)-2-甲基-5alpha-(乙酰氧基甲基)-6beta,7alpha-二乙酰氧基-3Aalpha,6,7,7Aalpha-四氢-5H-吡喃并[3,2-d]恶唑化学式

CAS

35954-65-5；10378-06-0

化学式

C₁₄H₁₉NO₈

mdl

——

分子量

329.307

InChiKey

WZFQZRLQMXZMJA-KSTCHIGDSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

416.7±45.0 °C(Predicted)
密度：

1.45±0.1 g/cm3(Predicted)
溶解度：

DMSO:100.0(最大浓度 mg/mL);303.67(最大浓度 mM)

计算性质

辛醇/水分配系数(LogP)：

-0.5
重原子数：

23
可旋转键数：

7
环数：

2.0
sp3杂化的碳原子比例：

0.71
拓扑面积：

110
氢给体数：

0
氢受体数：

9

安全信息

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

SDS：0e0920d5991e4e84775e694cf2c88be6

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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
β-D-葡萄糖胺五乙酸酯	2-acetamido-1,3,4,6-tetra-O-acetyl-2-deoxy-β-D-glucopyranose	7772-79-4	C₁₆H₂₃NO₁₀	389.359
A-D-氨基葡萄糖五乙酸盐	Acetic acid (2R,3R,4R,5S,6R)-2,5-diacetoxy-6-acetoxymethyl-3-acetylamino-tetrahydro-pyran-4-yl ester	7784-54-5	C₁₆H₂₃NO₁₀	389.359
2-乙酰氨基-1,3,4,6-O-四乙酰基-2-脱氧-alpha-D-吡喃葡萄糖	2-acetamido-3,4,6-tri-O-acetyl-D-glucopyranosyl acetate	14086-90-9	C₁₆H₂₃NO₁₀	389.359
——	allyl 2-acetamido-2-deoxy-β-D-glucopyranoside	——	C₁₁H₁₉NO₆	261.275

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	2-methyl-(1,2-dideoxy-α-D-glucopyranoso)-[2,1-d]-2-oxazoline	22854-00-8	C₈H₁₃NO₅	203.195
——	n-butyl 2-acetamido-2-deoxy-3,4,6-tri-O-acetyl-β-D-glucopyranoside	155197-37-8	C₁₈H₂₉NO₉	403.43
己基-2,3,4,6-四-氧-乙酰基-β-D-吡喃葡萄糖苷	hexyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranoside	172945-26-5	C₂₀H₃₃NO₉	431.483
——	n-pentenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranoside	210765-64-3	C₂₀H₃₁NO₉	429.467
十二烷基-2,3,4,6-四-氧-乙酰基-β-D-吡喃氨基葡萄糖苷	dodecyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranoside	211567-22-5	C₂₆H₄₅NO₉	515.645
2-(乙酰氨基)-2-脱氧-4-O-[3,4,6-三-O-乙酰基-2-(乙酰氨基)-2-脱氧-beta-D-吡喃葡萄糖基]-alpha-D-吡喃葡萄糖 1,3,6-三乙酸酯	chitobiose octaacetate	7284-18-6	C₂₈H₄₀N₂O₁₇	676.629
正庚基 2-乙酰氨基-3,4,6-O-三乙酰基-2-脱氧-beta-D-吡喃葡萄糖苷	heptyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranoside	115431-24-8	C₂₁H₃₅NO₉	445.51
甲基 2-乙酰氨基-3,4,6-O-三乙酰基-2-脱氧-beta-D-吡喃葡萄糖苷	methyl 2-acetamido-3,4,6-O-triacetyl-2-deoxy-β-D-glucopyranoside	2771-48-4	C₁₅H₂₃NO₉	361.349
——	cyclohexyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranoside	21588-60-3	C₂₀H₃₁NO₉	429.467
——	2-azidoethyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranoside	142072-11-5	C₁₆H₂₄N₄O₉	416.388
——	2-dodecyltetradecyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranoside	167083-17-2	C₄₀H₇₃NO₉	712.021
——	2-benzyloxyethyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranoside	118638-76-9	C₂₃H₃₁NO₁₀	481.5
——	6-O-(2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranosyl)-1,2:3,4-di-O-isopropylidene-α-D-galactopyranose	35437-38-8	C₂₆H₃₉NO₁₄	589.594
苄基 2-乙酸胺基-2-脱氧-3,4,6-三-O-乙酰基-Β-D-吡喃葡糖苷	benzyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranoside	13343-66-3	C₂₁H₂₇NO₉	437.447
——	allyl 2-acetamido-2-deoxy-3,6-di-O-pivaloyl-β-D-glucopyranosyl-(1->3)-2,4,6-tri-O-benzyl-α-D-galactopyranoside	402578-76-1	C₄₈H₆₃NO₁₃	862.027
——	allyl 2-acetamido-2-deoxy-4,6-di-O-pivaloyl-β-D-galactopyranosyl-(1->3)-2,4,6-tri-O-benzyl-α-D-galactopyranoside	402578-80-7	C₄₈H₆₃NO₁₃	862.027
——	methyl 2-acetamido-4,6-O-benzylidene-3-O-((R)-1'-carboxyethyl)-2-deoxy-β-D-glucopyranoside	129172-14-1	C₁₉H₂₅NO₈	395.409
——	methyl 2-acetamido-3-O-benzyl-4,6-O-benzylidene-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-6-O-benzyl-3-O-((R)-1'-carboxyethyl)-2-deoxy-β-D-glucopyranoside	666728-59-2	C₄₁H₅₀N₂O₁₃	778.854
——	2-acetamido-4-O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-2-deoxy-3-O-(D-2-propanoyl-L-alanyl-D-isoglutamine)-D-glucopyranose	111002-40-5	C₂₇H₄₅N₅O₁₆	695.678
——	benzyl 2-acetamido-4-O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-3,6-di-O-benzyl-2-deoxy-α-D-glucopyranoside	73821-90-6	C₃₇H₄₆N₂O₁₁	694.779
——	allyl 2-acetylamino-4-O-benzyl-2-deoxy-β-D-glucopyranoside	137105-29-4	C₁₈H₂₅NO₆	351.4
——	allyl 3-O-<2-acetamido-2-deoxy-3-O-(3,4,6-tri-O-benzyl-β-D-galactopyranosyl)-β-D-galactopyranosyl>-2,4,6-tri-O-benzyl-α-D-galactopyranoside	169836-51-5	C₆₅H₇₅NO₁₆	1126.31
——	N-acetyl-D-lactosamine	32181-59-2	C₁₄H₂₅NO₁₁	383.353
——	N-(9-fluorenylmethoxycarbonyl)-(2-acetamido-2-deoxy-3,4,6-tri-O-acetyl-β-D-glucopyranosyl)-L-serine	160067-63-0	C₃₂H₃₆N₂O₁₃	656.643
——	17-bromo-3,6,9,12,15-pentaoxaheptadecyl 2-acetamido-3,6-di-O-benzyl-2-deoxy-β-D-glucopyranoside	178476-04-5	C₃₄H₅₀BrNO₁₁	728.675
——