11,18-Diamino-16-(4,5-dihydropyrrolo[3,4-b]pyrrol-5-ium-5-ylmethyl)-35-hydroxy-25,31-dimethyl-4-[2-(methylamino)ethyl]-2,5,26,30-tetraoxa-21,22-dithia-12,17-diazaoctacyclo[21.14.2.19,13.01,25.04,6.014,19.027,36.029,34]tetraconta-9(40),10,12,14(19),15,17,27(36),28,31,34,38-undecaene-3,33-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: 11,18-Diamino-16-(4,5-dihydropyrrolo[3,4-b]pyrrol-5-ium-5-ylmethyl)-35-hydroxy-25,31-dimethyl-4-[2-(methylamino)ethyl]-2,5,26,30-tetraoxa-21,22-dithia-12,17-diazaoctacyclo[21.14.2.19,13.01,25.04,6.014,19.027,36.029,34]tetraconta-9(40),10,12,14(19),15,17,27(36),28,31,34,38-undecaene-3,33-dione
• 英文别名: 11,18-diamino-16-(4,5-dihydropyrrolo[3,4-b]pyrrol-5-ium-5-ylmethyl)-35-hydroxy-25,31-dimethyl-4-[2-(methylamino)ethyl]-2,5,26,30-tetraoxa-21,22-dithia-12,17-diazaoctacyclo[21.14.2.19,13.01,25.04,6.014,19.027,36.029,34]tetraconta-9(40),10,12,14(19),15,17,27(36),28,31,34,38-undecaene-3,33-dione
• 化学式: C44H46N7O7S2+
• 分子量: 849.0
• InChiKey: AEFOTWQYZYEARG-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  60
• 可旋转键数：
  5
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  252
• 氢给体数：
  5
• 氢受体数：
  15