3-[[(3S,4S,6S)-6-[(3S,4R,6S)-2-(2-carboxyethylsulfanylmethyl)-6-[(3S,5S,6R)-2-(2-carboxyethylsulfanylmethyl)-6-[(3S,5S,6R)-2-(2-carboxyethylsulfanylmethyl)-6-[(3R,5R)-2-(2-carboxyethylsulfanylmethyl)-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methylsulfanyl]propanoic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-[[(3S,4S,6S)-6-[(3S,4R,6S)-2-(2-carboxyethylsulfanylmethyl)-6-[(3S,5S,6R)-2-(2-carboxyethylsulfanylmethyl)-6-[(3S,5S,6R)-2-(2-carboxyethylsulfanylmethyl)-6-[(3R,5R)-2-(2-carboxyethylsulfanylmethyl)-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methylsulfanyl]propanoic acid
• 化学式: C₄₅H₇₂O₃₀S₅
• 分子量: 1253.4
• InChiKey: GOLXTMDNAASRRY-CSUNHEHNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -7
• 重原子数：
  80
• 可旋转键数：
  33
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  619
• 氢给体数：
  16
• 氢受体数：
  35

文献信息

• PROCESS FOR PREPARATION OF SUGAMMADEX
  申请人：Davuluri Ramamohan Rao

  公开号：US20140221641A1

  公开（公告）日：2014-08-07

  A novel process for the preparation of 6-perdeoxy-6-per-halo Gamma cyclodextrin which is a useful intermediate in the synthesis of Suggamadex is disclosed in the invention. The process involves by reacting Gamma cyclodextrin with phosphorous halide in presence of organic solvent.