(Z)-6-[(1R,2R,3S,4S)-3-[[(2-chloro-4-methylphenyl)methylamino]methyl]-2-bicyclo[2.2.1]heptanyl]hex-5-enoic acid;(Z)-6-[(1R,2R,3S,4S)-3-[[[4-methyl-2-(trifluoromethyl)phenyl]methylamino]methyl]-2-bicyclo[2.2.1]heptanyl]hex-5-enoic acid;(Z)-6-[(1R,2R,3S,4S)-3-[[(2,4,6-trimethylphenyl)methylamino]methyl]-2-bicyclo[2.2.1]heptanyl]hex-5-enoic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (Z)-6-[(1R,2R,3S,4S)-3-[[(2-chloro-4-methylphenyl)methylamino]methyl]-2-bicyclo[2.2.1]heptanyl]hex-5-enoic acid;(Z)-6-[(1R,2R,3S,4S)-3-[[[4-methyl-2-(trifluoromethyl)phenyl]methylamino]methyl]-2-bicyclo[2.2.1]heptanyl]hex-5-enoic acid;(Z)-6-[(1R,2R,3S,4S)-3-[[(2,4,6-trimethylphenyl)methylamino]methyl]-2-bicyclo[2.2.1]heptanyl]hex-5-enoic acid
• 化学式: C69H95ClF3N3O6
• 分子量: 1155.0
• InChiKey: FFHWSFADLBLTBS-RLDQCIMVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.96
• 重原子数：
  82
• 可旋转键数：
  27
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  148
• 氢给体数：
  6
• 氢受体数：
  12