(2R,3R,4S,5S,6R)-2-[[(1S,2R,4R,5R,6S)-2-[[(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-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 95784-47-7

• 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-[[(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-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• CAS: 95784-47-7
• 化学式: C₃₀H₄₈O₂₄
• 分子量: 792.697
• InChiKey: WAVFKLYSTBQMSY-LLYAELNBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -9.2
• 重原子数：
  54
• 可旋转键数：
  13
• 环数：
  7.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  371
• 氢给体数：
  13
• 氢受体数：
  24

反应信息

• 作为反应物：
  描述：

  (2R,3R,4S,5S,6R)-2-[[(1S,2R,4R,5R,6S)-2-[[(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-(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)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(1S,2R,4R,5R,6S)-4-(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]-3,7-dioxabicyclo[4.1.0]heptan-2-yl]oxy]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-[[(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-(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

文献信息

• Regiospecific sulfonation of secondary hydroxyl groups of .alpha.-cyclodextrin. Its application to preparation of 2A2B, 2A2C-, and 2A2D-disulfonates
  作者：Kahee Fujita、Satoru Nagamura、Taiji Imoto、Tsutomu Tahara、Toshitaka Koga

  DOI：10.1021/ja00297a032

  日期：1985.5