19-[[3-Cyclohexyl-5-(oxan-4-yl)phenyl]methyl]-11-cyclopentyl-3-[4-(3,3-dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-27-hydroxy-6,7,11,29-tetramethyl-21,25-diazaheptacyclo[12.12.3.02,6.07,28.010,29.018,25.020,24]nonacosa-2,18,20(24),22-tetraen-15-yne-4,12-dione

• 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: 19-[[3-Cyclohexyl-5-(oxan-4-yl)phenyl]methyl]-11-cyclopentyl-3-[4-(3,3-dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-27-hydroxy-6,7,11,29-tetramethyl-21,25-diazaheptacyclo[12.12.3.02,6.07,28.010,29.018,25.020,24]nonacosa-2,18,20(24),22-tetraen-15-yne-4,12-dione
• 英文别名: 19-[[3-cyclohexyl-5-(oxan-4-yl)phenyl]methyl]-11-cyclopentyl-3-[4-(3,3-dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-27-hydroxy-6,7,11,29-tetramethyl-21,25-diazaheptacyclo[12.12.3.02,6.07,28.010,29.018,25.020,24]nonacosa-2,18,20(24),22-tetraen-15-yne-4,12-dione
• 化学式: C₆₂H₈₂N₂O₆
• 分子量: 951.3
• InChiKey: UOHTWWDHFCYQTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11
• 重原子数：
  70
• 可旋转键数：
  9
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  117
• 氢给体数：
  3
• 氢受体数：
  6