2-[3-Cyclohexyl-5-(oxan-4-yl)phenyl]-2-[20-[2-(3,3-dimethyloxiran-2-yl)-2-hydroxyethyl]-8-hydroxy-6,20,24,25,29-pentamethyl-22,47-dioxo-11,15,44-triazatridecacyclo[27.15.3.12,5.19,21.111,14.136,40.05,46.06,28.07,25.030,34.042,45.017,50.024,49]henpentaconta-1(45),12,14(50),16,21(49),36,38,40(48),42-nonaen-13-yl]acetaldehyde

• 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: 2-[3-Cyclohexyl-5-(oxan-4-yl)phenyl]-2-[20-[2-(3,3-dimethyloxiran-2-yl)-2-hydroxyethyl]-8-hydroxy-6,20,24,25,29-pentamethyl-22,47-dioxo-11,15,44-triazatridecacyclo[27.15.3.12,5.19,21.111,14.136,40.05,46.06,28.07,25.030,34.042,45.017,50.024,49]henpentaconta-1(45),12,14(50),16,21(49),36,38,40(48),42-nonaen-13-yl]acetaldehyde
• 英文别名: 2-[3-cyclohexyl-5-(oxan-4-yl)phenyl]-2-[20-[2-(3,3-dimethyloxiran-2-yl)-2-hydroxyethyl]-8-hydroxy-6,20,24,25,29-pentamethyl-22,47-dioxo-11,15,44-triazatridecacyclo[27.15.3.12,5.19,21.111,14.136,40.05,46.06,28.07,25.030,34.042,45.017,50.024,49]henpentaconta-1(45),12,14(50),16,21(49),36,38,40(48),42-nonaen-13-yl]acetaldehyde
• 化学式: C₇₈H₉₇N₃O₇
• 分子量: 1188.6
• InChiKey: BMRWYYNRTIKOBV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.4
• 重原子数：
  88
• 可旋转键数：
  8
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  150
• 氢给体数：
  4
• 氢受体数：
  7