5-[1-(3-Carboxy-5-chloro-4-methoxy-phenyl)-3-[[(3s,5s,8r,9s,10s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-yl]amino]prop-1-enyl]-3-chloro-2-methoxy-benzoic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 5-[1-(3-Carboxy-5-chloro-4-methoxy-phenyl)-3-[[(3s,5s,8r,9s,10s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-yl]amino]prop-1-enyl]-3-chloro-2-methoxy-benzoic acid
• 英文别名: 5-[1-(3-carboxy-5-chloro-4-methoxyphenyl)-3-[[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]prop-1-enyl]-3-chloro-2-methoxybenzoic acid
• 化学式: C₄₆H₆₃Cl₂NO₆
• 分子量: 796.9
• InChiKey: CUNZVWBIDWSYDT-MNANNLOISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.6
• 重原子数：
  55
• 可旋转键数：
  14
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  105
• 氢给体数：
  3
• 氢受体数：
  7