11-Cyclopentyl-3-[4-(3,3-dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-27-hydroxy-14-(2-hydroxyethyl)-6,7,11,29-tetramethyl-19-[[3-methyl-5-(oxan-4-yl)phenyl]methyl]-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: 11-Cyclopentyl-3-[4-(3,3-dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-27-hydroxy-14-(2-hydroxyethyl)-6,7,11,29-tetramethyl-19-[[3-methyl-5-(oxan-4-yl)phenyl]methyl]-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: 11-cyclopentyl-3-[4-(3,3-dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-27-hydroxy-14-(2-hydroxyethyl)-6,7,11,29-tetramethyl-19-[[3-methyl-5-(oxan-4-yl)phenyl]methyl]-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: C₅₉H₇₈N₂O₇
• 分子量: 927.3
• InChiKey: SFDDIHJINGVSFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  68
• 可旋转键数：
  10
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  137
• 氢给体数：
  4
• 氢受体数：
  7