[40-[3-(6-Amino-1,2-dihydropyridin-4-yl)propylimino]-11-[3,4-dihydroxy-5-(2-pyridin-3-ylethoxy)phenyl]-19-hydroxy-42-[hydroxy(methylamino)methyl]-12,21-dioxa-34,37,39,41-tetrazadecacyclo[26.13.1.116,20.01,25.02,22.05,14.08,13.030,37.031,35.038,42]tritetraconta-6,16(43),17,19,30,32,35-heptaen-3-yn-9-yl] acetate

• 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: [40-[3-(6-Amino-1,2-dihydropyridin-4-yl)propylimino]-11-[3,4-dihydroxy-5-(2-pyridin-3-ylethoxy)phenyl]-19-hydroxy-42-[hydroxy(methylamino)methyl]-12,21-dioxa-34,37,39,41-tetrazadecacyclo[26.13.1.116,20.01,25.02,22.05,14.08,13.030,37.031,35.038,42]tritetraconta-6,16(43),17,19,30,32,35-heptaen-3-yn-9-yl] acetate
• 英文别名: [40-[3-(6-amino-1,2-dihydropyridin-4-yl)propylimino]-11-[3,4-dihydroxy-5-(2-pyridin-3-ylethoxy)phenyl]-19-hydroxy-42-[hydroxy(methylamino)methyl]-12,21-dioxa-34,37,39,41-tetrazadecacyclo[26.13.1.116,20.01,25.02,22.05,14.08,13.030,37.031,35.038,42]tritetraconta-6,16(43),17,19,30,32,35-heptaen-3-yn-9-yl] acetate
• 化学式: C₆₂H₇₁N₉O₉
• 分子量: 1086.3
• InChiKey: CGBFKGKZNFGDBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  80
• 可旋转键数：
  13
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  255
• 氢给体数：
  10
• 氢受体数：
  14