(5E)-5-[(3aS,4R,5R,6aS)-4-[(1E,3S)-3-环戊基-3-羟基丙-1-烯-1-基]-5-羟基六氢戊搭烯-2(1H)-亚基]戊酸-(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,1 | 108866-14-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (5E)-5-[(3aS,4R,5R,6aS)-4-[(1E,3S)-3-环戊基-3-羟基丙-1-烯-1-基]-5-羟基六氢戊搭烯-2(1H)-亚基]戊酸-(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,1
• 英文名称: Ataprost alfadex
• 英文别名: (5E)-5-[(3aS,4R,5R,6aS)-4-[(E,3S)-3-cyclopentyl-3-hydroxyprop-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid;(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
• CAS: 108866-14-4
• 化学式: C57H92O34
• 分子量: 1321.3
• InChiKey: SFHJGDWSLBIFEL-VFPQVINMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -9.37
• 重原子数：
  91
• 可旋转键数：
  13
• 环数：
  25.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  553
• 氢给体数：
  21
• 氢受体数：
  34