(2''S,3''R)-3''(Phenylthio)maltotetraose

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2''S,3''R)-3''(Phenylthio)maltotetraose
• 英文别名: Glc(a1-4)[PhS(-3d)]D-Alt(a1-4)Glc(a1-4)Glc；(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-6-[(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-5-hydroxy-2-(hydroxymethyl)-4-phenylsulfanyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• 化学式: C₃₀H₄₆O₂₀S
• 分子量: 758.749
• InChiKey: RDNGLTGCLJHIKR-OFXWSSFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.1
• 重原子数：
  51
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  353
• 氢给体数：
  13
• 氢受体数：
  21

反应信息

• 作为反应物：
  描述：

  (2''S,3''R)-3''(Phenylthio)maltotetraose 在 sodium tetrahydroborate 作用下， 以95%的产率得到Glc(a1-4)[PhS(-3d)]D-Alt(a1-4)Glc(a1-?)Glc-ol
  参考文献：
  名称：

  A Complete Set of 2A,6X-Di-O-diactivated .alpha.-Cyclodextrins

  摘要：

  Each regioisomer of 2(A)-O-(1-naphthalenesulfonyl)-6(X)-O-(mesitylenesulfonyl)-alpha-cyclodextrins (X = A-F), which was prepared by the reaction of 2-0-(1-naphthalenesulfonyl)-alpha-cyclodextrin with mesitylenesulfonyl chloride in pyridine, was isolated and structurally determined.

  DOI：

  10.1021/jo00117a013
• 作为产物：
  描述：

  3^A-S-Phenyl-(2^AS,3^AR)-3^A-thio-α-cyclodextrin 反应 168.0h， 以90.8%的产率得到(2''S,3''R)-3''(Phenylthio)maltotetraose
  参考文献：
  名称：

  A Complete Set of 2A,6X-Di-O-diactivated .alpha.-Cyclodextrins

  摘要：

  Each regioisomer of 2(A)-O-(1-naphthalenesulfonyl)-6(X)-O-(mesitylenesulfonyl)-alpha-cyclodextrins (X = A-F), which was prepared by the reaction of 2-0-(1-naphthalenesulfonyl)-alpha-cyclodextrin with mesitylenesulfonyl chloride in pyridine, was isolated and structurally determined.

  DOI：

  10.1021/jo00117a013

文献信息

• A Complete Set of 2A,6X-Di-O-diactivated .alpha.-Cyclodextrins
  作者：Kahee Fujita、Tsutomu Tahara、Kazuko Ohta、Yasuyoshi Nogami、Toshitaka Koga、Masatoshi Yamaguchi

  DOI：10.1021/jo00117a013

  日期：1995.6

  Each regioisomer of 2(A)-O-(1-naphthalenesulfonyl)-6(X)-O-(mesitylenesulfonyl)-alpha-cyclodextrins (X = A-F), which was prepared by the reaction of 2-0-(1-naphthalenesulfonyl)-alpha-cyclodextrin with mesitylenesulfonyl chloride in pyridine, was isolated and structurally determined.