5-[2-(3,3-Dimethyloxiran-2-yl)-2-hydroxyethyl]-17-hydroxy-5,19,23,23,27-pentamethyl-12-[[3-methyl-5-(oxan-4-yl)phenyl]methyl]-10-aza-14-azoniaoctacyclo[15.10.3.11,4.18,11.018,27.019,24.014,31.016,32]dotriaconta-4(32),8(31),9,11,29-pentaene-3,22-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: 5-[2-(3,3-Dimethyloxiran-2-yl)-2-hydroxyethyl]-17-hydroxy-5,19,23,23,27-pentamethyl-12-[[3-methyl-5-(oxan-4-yl)phenyl]methyl]-10-aza-14-azoniaoctacyclo[15.10.3.11,4.18,11.018,27.019,24.014,31.016,32]dotriaconta-4(32),8(31),9,11,29-pentaene-3,22-dione
• 英文别名: 5-[2-(3,3-dimethyloxiran-2-yl)-2-hydroxyethyl]-17-hydroxy-5,19,23,23,27-pentamethyl-12-[[3-methyl-5-(oxan-4-yl)phenyl]methyl]-10-aza-14-azoniaoctacyclo[15.10.3.11,4.18,11.018,27.019,24.014,31.016,32]dotriaconta-4(32),8(31),9,11,29-pentaene-3,22-dione
• 化学式: C54H71N2O6+
• 分子量: 844.1
• InChiKey: FTYBHLWFADEPCK-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  62
• 可旋转键数：
  6
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  113
• 氢给体数：
  3
• 氢受体数：
  7