hexakis(5-carboxy-5-dehydroxymethyl)-α-cyclodextrin

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: hexakis(5-carboxy-5-dehydroxymethyl)-α-cyclodextrin
• 英文别名: (1S,3S,5S,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,23S,25S,26S,28S,30S,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-31,32,33,34,35,36,37,38,39,40,41,42-dodecahydroxy-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-5,10,15,20,25,30-hexacarboxylic acid
• 化学式: C₃₆H₄₈O₃₆
• 分子量: 1056.76
• InChiKey: QSDPQWWCCHRUDN-PPJGZAFNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -11.4
• 重原子数：
  72
• 可旋转键数：
  6
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  577
• 氢给体数：
  18
• 氢受体数：
  36

反应信息

• 作为产物：
  描述：

  hexakis(2,3-di-O-acetyl-5-carboxy-5-dehydroxymethyl)-α-cyclodextrin 在 sodium hydroxide 、 Dowex H⁺ 作用下， 反应 5.0h， 以99%的产率得到hexakis(5-carboxy-5-dehydroxymethyl)-α-cyclodextrin
  参考文献：
  名称：

  Synthesis of Per(5-carboxy-5-dehydroxymethyl)-α- and β-Cyclodextrins −Self-Assembly of the Per(2,3-di-O-methyl)-Protected Homologues into Highly Stable Dimers, Driven by Multiple Hydrogen Bonds

  摘要：

  DOI：

  10.1002/1099-0690(200009)2000:18<3133::aid-ejoc3133>3.0.co;2-p

文献信息

• Synthesis of Per(5-carboxy-5-dehydroxymethyl)-α- and β-Cyclodextrins −Self-Assembly of the Per(2,3-di-O-methyl)-Protected Homologues into Highly Stable Dimers, Driven by Multiple Hydrogen Bonds
  作者：Tomáš Kraus、Miloš Buděšínský、Jirˇí Závada

  DOI：10.1002/1099-0690(200009)2000:18<3133::aid-ejoc3133>3.0.co;2-p

  日期：2000.9