9-[1-(1,2,4a,5,5a,6,7,8,9,9a,10,10a-Dodecahydropyrido[3,4-g]quinolin-10-ylmethyl)-3-[(2-cyclohexyl-2-hydroxyethyl)amino]cyclopentyl]-2-[2-[[2-amino-4-[2-[3-(2-phenylethyl)phenyl]ethyl]-1,2-dihydropyridin-5-yl]methyl]-4-hydroxy-5-methoxyphenyl]-1-hydroxynon-2-ene-4,6-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: 9-[1-(1,2,4a,5,5a,6,7,8,9,9a,10,10a-Dodecahydropyrido[3,4-g]quinolin-10-ylmethyl)-3-[(2-cyclohexyl-2-hydroxyethyl)amino]cyclopentyl]-2-[2-[[2-amino-4-[2-[3-(2-phenylethyl)phenyl]ethyl]-1,2-dihydropyridin-5-yl]methyl]-4-hydroxy-5-methoxyphenyl]-1-hydroxynon-2-ene-4,6-dione
• 英文别名: 9-[1-(1,2,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydropyrido[3,4-g]quinolin-10-ylmethyl)-3-[(2-cyclohexyl-2-hydroxyethyl)amino]cyclopentyl]-2-[2-[[2-amino-4-[2-[3-(2-phenylethyl)phenyl]ethyl]-1,2-dihydropyridin-5-yl]methyl]-4-hydroxy-5-methoxyphenyl]-1-hydroxynon-2-ene-4,6-dione
• 化学式: C₆₄H₈₇N₅O₆
• 分子量: 1022.4
• InChiKey: UTNBLCFFCCPQCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  75
• 可旋转键数：
  24
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  178
• 氢给体数：
  8
• 氢受体数：
  11