[(2S,3S)-2-[(4S,5S,6R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-11-[(1S)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-5-hydroxy-4,6,8,8-tetramethyl-7,11-dioxoundecyl]-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-(2-methyl-1,3-thiazol-4-yl)but-3-enyl]oxiran-2-yl]methyl methanesulfonate

• 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: [(2S,3S)-2-[(4S,5S,6R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-11-[(1S)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-5-hydroxy-4,6,8,8-tetramethyl-7,11-dioxoundecyl]-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-(2-methyl-1,3-thiazol-4-yl)but-3-enyl]oxiran-2-yl]methyl methanesulfonate
• 英文别名: [(2S,3S)-2-[(4S,5S,6R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-11-[(1S)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-5-hydroxy-4,6,8,8-tetramethyl-7,11-dioxoundecyl]-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-(2-methyl-1,3-thiazol-4-yl)but-3-enyl]oxiran-2-yl]methyl methanesulfonate
• 化学式: C₅₀H₈₈N₂O₁₁S₃Si₂
• 分子量: 1045.6
• InChiKey: BNPFSXVVVRZUCQ-FQOXBQLUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.3
• 重原子数：
  68
• 可旋转键数：
  24
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  224
• 氢给体数：
  1
• 氢受体数：
  13