3-[[20,25-Bis(2-carboxyethylsulfanylmethyl)-5,10,30,35,40-pentakis(ethylsulfanylmethyl)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecahydroxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-15-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-[[20,25-Bis(2-carboxyethylsulfanylmethyl)-5,10,30,35,40-pentakis(ethylsulfanylmethyl)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecahydroxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-15-yl]methylsulfanyl]propanoic acid
• 英文别名: 3-[[20,25-bis(2-carboxyethylsulfanylmethyl)-5,10,30,35,40-pentakis(ethylsulfanylmethyl)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecahydroxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-15-yl]methylsulfanyl]propanoic acid
• 化学式: C₆₇H₁₁₂O₃₈S₈
• 分子量: 1782.1
• InChiKey: WNSKYMAKERVQCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.2
• 重原子数：
  113
• 可旋转键数：
  30
• 环数：
  30.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  786
• 氢给体数：
  19
• 氢受体数：
  46

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.
• An Improved Process for Preparation of Sugammadex Sodium
  申请人：RAVI Ponnaiah

  公开号：US20160009827A1

  公开（公告）日：2016-01-14

  The present invention provides a process for the preparation of sugammadex sodium involving the step of: reacting 6-perdeoxy-6-per-halo-gamma-cyclodextrin with 3-mercapto propionic acid in the presence of alkali metal alkoxide in an organic solvents. The invention also provides a process for purifying the sugammadex or its pharmaceutically acceptable salts using water and organic solvents.
• US9120876B2
  申请人：——

  公开号：US9120876B2

  公开（公告）日：2015-09-01
• US9879096B2
  申请人：——

  公开号：US9879096B2

  公开（公告）日：2018-01-30