1-[(4aR,4bS,5S,6aS,6bS,8S,9aR,10aS,10bS)-1-[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]-5-hydroxy-4a,6a-dimethyl-8-propyl-4,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro[1,3]dioxolo[3',4']cyclopenta[1',2':5,6]naphtho[1,2-f]indazol-6b(1H)-yl]-2-hydroxyethanone tifluoroacetic acid | 1166990-39-1

• 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: 1-[(4aR,4bS,5S,6aS,6bS,8S,9aR,10aS,10bS)-1-[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]-5-hydroxy-4a,6a-dimethyl-8-propyl-4,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro[1,3]dioxolo[3',4']cyclopenta[1',2':5,6]naphtho[1,2-f]indazol-6b(1H)-yl]-2-hydroxyethanone tifluoroacetic acid
• 英文别名: 1-[(1S,2R,13S,14S,16R,18S,20S,21S,23S)-7-[4-fluoro-3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-23-hydroxy-2,21-dimethyl-18-propyl-17,19-dioxa-6,7-diazahexacyclo[11.10.0.02,10.04,8.014,21.016,20]tricosa-4(8),5,9-trien-20-yl]-2-hydroxyethanone;2,2,2-trifluoroacetate
• CAS: 1166990-39-1
• 化学式: C₂HF₃O₂*C₃₇H₄₈FN₃O₅S
• 分子量: 779.894
• InChiKey: BVKYXGYGTYVQGS-WELNCORVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  54.0
• 可旋转键数：
  7.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  134.35
• 氢给体数：
  3.0
• 氢受体数：
  10.0