(2R,3R,4S,5S,6R)-2-[[(1R,2R,4R,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-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]-6-(hydroxymethyl)oxane-3,4,5-triol

• 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-[[(1R,2R,4R,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-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]-6-(hydroxymethyl)oxane-3,4,5-triol
• 化学式: C₂₄H₄₀O₂₀
• 分子量: 648.57
• InChiKey: BNHSWADIKNTKNQ-AYQJAVFRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -8
• 重原子数：
  44
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  320
• 氢给体数：
  12
• 氢受体数：
  20

反应信息

• 作为反应物：
  描述：

  (2R,3R,4S,5S,6R)-2-[[(1R,2R,4R,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-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]-6-(hydroxymethyl)oxane-3,4,5-triol 在 sodium tetrahydroborate 作用下， 反应 20.0h， 以72.2%的产率得到(2S,3R,4R,5R)-4-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(1R,2R,4R,5R,6R)-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]oxyhexane-1,2,3,5,6-pentol
  参考文献：
  名称：

  Synthesis of specifically modified maltooligosaccharides by enzymic degradation of cyclodextrin derivatives. Substrate-based investigation of the active site of Taka-amylase

  摘要：

  DOI：

  10.1021/jo00380a026
• 作为产物：
  描述：

  2,3-alloepoxy-β-cyclodextrin 在 Taka amylase 、 calcium chloride 作用下， 生成 (2R,3R,4S,5S,6R)-2-[[(1R,2R,4R,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-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]-6-(hydroxymethyl)oxane-3,4,5-triol
  参考文献：
  名称：

  Regiospecific sulfonation onto C-3 hydroxyls of .beta.-cyclodextrin. Preparation and enzyme-based structural assignment of 3A,3C and 3A3D disulfonates

  摘要：

  DOI：

  10.1021/ja00268a050

文献信息

• Regiospecific sulfonation onto C-3 hydroxyls of .beta.-cyclodextrin. Preparation and enzyme-based structural assignment of 3A,3C and 3A3D disulfonates
  作者：Kahee. Fujita、Tsutomu. Tahara、Taiji. Imoto、Toshitaka. Koga

  DOI：10.1021/ja00268a050

  日期：1986.4
• Synthesis of specifically modified maltooligosaccharides by enzymic degradation of cyclodextrin derivatives. Substrate-based investigation of the active site of Taka-amylase
  作者：Kahee Fujita、Tsutomu Tahara、Satoru Nagamura、Taiji Imoto、Toshitaka Koga

  DOI：10.1021/jo00380a026

  日期：1987.2