<2,3-di-O-acetyl-6-O-(α-D-glucopyranosyl)>hexakis(2,3,6-tri-O-acetyl)cyclomaltoheptaose | 116525-08-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: <2,3-di-O-acetyl-6-O-(α-D-glucopyranosyl)>hexakis(2,3,6-tri-O-acetyl)cyclomaltoheptaose
• 英文别名: [2,3-di-O-acetyl-6-O-(α-D-glucopyranosyl)]hexakis(2,3,6-tri-O-acetyl)cyclomaltoheptaose；[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecaacetyloxy-10,15,20,25,30-pentakis(acetyloxymethyl)-35-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl acetate
• CAS: 116525-08-7；116562-93-7
• 化学式: C₈₈H₁₂₀O₆₀
• 分子量: 2137.88
• InChiKey: AUKKZGZZXZUZKX-GWTJALSJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.99
• 重原子数：
  148.0
• 可旋转键数：
  30.0
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  754.6
• 氢给体数：
  4.0
• 氢受体数：
  60.0

反应信息

• 作为反应物：
  描述：

  <2,3-di-O-acetyl-6-O-(α-D-glucopyranosyl)>hexakis(2,3,6-tri-O-acetyl)cyclomaltoheptaose 生成 (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-36-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
  参考文献：
  名称：

  FUGEDI, PETER;NANASI, PAL;SZEJTLI, JOZSEF, CARBOHYDR. RES., 175,(1988) N 2, 173-181

  摘要：

  DOI：
• 作为产物：
  描述：

  生成 <2,3-di-O-acetyl-6-O-(α-D-glucopyranosyl)>hexakis(2,3,6-tri-O-acetyl)cyclomaltoheptaose
  参考文献：
  名称：

  FUGEDI, PETER;NANASI, PAL;SZEJTLI, JOZSEF, CARBOHYDR. RES., 175,(1988) N 2, 173-181

  摘要：

  DOI：

文献信息

• Synthesis of 6-O-α-d-glucopyranosylcyclomaltoheptaose
  作者：Péter Fügedi、Pál Nánási、József Szejtli

  DOI：10.1016/0008-6215(88)84140-5

  日期：1988.5

  Abstract (2,3-Di- O -acetyl)hexakis(2,3,6-tri- O -acetyl)cyclomaltoheptaose was prepared by reaction of cyclomaltoheptaose with tert -butyldimethylsilyl chloride in pyridine followed by acetylation and desilylation. Glycosylation with 2,3,4,6-tetra- O -benzyl-1- O -trichloroacetimidoyl-α- d -glucopyranose, using trifluoromethanesulfonic acid as catalyst, and removal of the protecting groups from the

  摘要通过将环麦芽庚糖与叔丁基二甲基甲硅烷基氯在吡啶中反应，然后进行乙酰化和去甲硅烷基化反应，制得（2,3-二-O-乙酰基）六（2,3,6-三-O-乙酰基）环麦芽九糖。使用三氟甲磺酸作为催化剂，用2,3,4,6-四-O-苄基-1-O-三氯乙酰亚胺基-α-d-吡喃葡萄糖进行糖基化，然后从产物中除去保护基，得到标题化合物。