3-(2-methylimidazol-1-yl)propionic acid (R)-1-[4-((8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-17-pentafluoroethyl-2,3,6,7,8,11,12,13,14,15,16 17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl)phenyl]ethyl ester | 1262114-60-2

• 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: 3-(2-methylimidazol-1-yl)propionic acid (R)-1-[4-((8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-17-pentafluoroethyl-2,3,6,7,8,11,12,13,14,15,16 17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl)phenyl]ethyl ester
• 英文别名: 3-(2-methylimidazol-1-yl)propionic acid (S)-1-[4-((8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-17-pentafluoroethyl-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl)phenyl]ethyl ester；[(1R)-1-[4-[(8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-17-(1,1,2,2,2-pentafluoroethyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]ethyl] 3-(2-methylimidazol-1-yl)propanoate
• CAS: 1262114-60-2
• 化学式: C₃₅H₃₉F₅N₂O₄
• 分子量: 646.698
• InChiKey: XZFWQXCQEWCXMK-RPJQWGDNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  46
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  81.4
• 氢给体数：
  1
• 氢受体数：
  10