21-[(2,5-Dioxopyrrol-1-yl)methyl]-29-(1-ethylcyclopentyl)-9-hydroxy-8-[4-(3-hydroxypropyl)cyclohexyl]-4,31-dioxa-10,11-dithia-17,38-diazanonacyclo[21.11.2.112,16.126,30.01,5.02,22.015,20.024,34.033,37]octatriaconta-2(22),5,13,15(20),16,18,29,33(37)-octaene-3,32-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: 21-[(2,5-Dioxopyrrol-1-yl)methyl]-29-(1-ethylcyclopentyl)-9-hydroxy-8-[4-(3-hydroxypropyl)cyclohexyl]-4,31-dioxa-10,11-dithia-17,38-diazanonacyclo[21.11.2.112,16.126,30.01,5.02,22.015,20.024,34.033,37]octatriaconta-2(22),5,13,15(20),16,18,29,33(37)-octaene-3,32-dione
• 英文别名: 21-[(2,5-dioxopyrrol-1-yl)methyl]-29-(1-ethylcyclopentyl)-9-hydroxy-8-[4-(3-hydroxypropyl)cyclohexyl]-4,31-dioxa-10,11-dithia-17,38-diazanonacyclo[21.11.2.112,16.126,30.01,5.02,22.015,20.024,34.033,37]octatriaconta-2(22),5,13,15(20),16,18,29,33(37)-octaene-3,32-dione
• 化学式: C₅₃H₆₁N₃O₈S₂
• 分子量: 932.2
• InChiKey: MXXQLTYCWXKNPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  66
• 可旋转键数：
  8
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  206
• 氢给体数：
  3
• 氢受体数：
  12