(2R,3R,4S,5S,6R)-2-[[(1S,2R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-6-[[(1S,2R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 95784-46-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2R,3R,4S,5S,6R)-2-[[(1S,2R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-6-[[(1S,2R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• CAS: 95784-46-6
• 化学式: C₃₆H₅₈O₂₉
• 分子量: 954.839
• InChiKey: JXIYFPQLJAQOEI-NAFLZBONSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -11.3
• 重原子数：
  65
• 可旋转键数：
  16
• 环数：
  8.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  450
• 氢给体数：
  16
• 氢受体数：
  29

反应信息

• 作为反应物：
  描述：

  (2R,3R,4S,5S,6R)-2-[[(1S,2R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-6-[[(1S,2R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 在 sodium tetrahydroborate 作用下， 以 水 为溶剂， 生成 (2S,3R,4R,5R)-4-[(2R,3R,4R,5S,6R)-5-[[(1S,2R,4R,5R,6S)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(1S,2R,4R,5R,6S)-4-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,7-dioxabicyclo[4.1.0]heptan-2-yl]oxy]oxan-2-yl]oxy-4-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptan-2-yl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol
  参考文献：
  名称：

  Regiospecific sulfonation of secondary hydroxyl groups of .alpha.-cyclodextrin. Its application to preparation of 2A2B, 2A2C-, and 2A2D-disulfonates

  摘要：

  DOI：

  10.1021/ja00297a032
• 作为产物：
  描述：

  α-环糊精 在 sodium hydroxide 、 potassium carbonate 作用下， 以 水 为溶剂， 反应 0.03h， 生成 (2R,3R,4S,5S,6R)-2-[[(1S,2R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-6-[[(1S,2R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  参考文献：
  名称：

  Regiospecific sulfonation of secondary hydroxyl groups of .alpha.-cyclodextrin. Its application to preparation of 2A2B, 2A2C-, and 2A2D-disulfonates

  摘要：

  DOI：

  10.1021/ja00297a032