b-Cyclodextrin, 6A-S-(phenylmethyl)-6A-thio- | 139365-17-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: b-Cyclodextrin, 6A-S-(phenylmethyl)-6A-thio-
• 英文别名: (1S,3R,5R,6S,8S,10S,11S,13R,16S,18R,21S,23R,25R,26S,28R,30R,31S,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-10-(benzylsulfanylmethyl)-5,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
• CAS: 139365-17-6
• 化学式: C₄₉H₇₆O₃₄S
• 分子量: 1241.2
• InChiKey: LUPJYNGDLHGEEE-SQBKDSTQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -12.2
• 重原子数：
  84
• 可旋转键数：
  10
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  559
• 氢给体数：
  20
• 氢受体数：
  35