1-[11'-Hydroxy-2-(hydroxymethyl)-9'-(2-hydroxypropylamino)-3-(methylaminomethyl)-19'-[5-(5-prop-1-ynylthiophen-2-yl)thiophene-2-carbonyl]spiro[cyclopentane-1,3'-tetracyclo[14.3.1.11,4.08,13]henicosa-8(13),9,11-trien-6-yne]-15'-yl]-2-methylguanidine

• 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: 1-[11'-Hydroxy-2-(hydroxymethyl)-9'-(2-hydroxypropylamino)-3-(methylaminomethyl)-19'-[5-(5-prop-1-ynylthiophen-2-yl)thiophene-2-carbonyl]spiro[cyclopentane-1,3'-tetracyclo[14.3.1.11,4.08,13]henicosa-8(13),9,11-trien-6-yne]-15'-yl]-2-methylguanidine
• 英文别名: 1-[11'-hydroxy-2-(hydroxymethyl)-9'-(2-hydroxypropylamino)-3-(methylaminomethyl)-19'-[5-(5-prop-1-ynylthiophen-2-yl)thiophene-2-carbonyl]spiro[cyclopentane-1,3'-tetracyclo[14.3.1.11,4.08,13]henicosa-8(13),9,11-trien-6-yne]-15'-yl]-2-methylguanidine
• 化学式: C₄₅H₅₇N₅O₄S₂
• 分子量: 796.1
• InChiKey: CXFXTIFEDXRFIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  56
• 可旋转键数：
  12
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  209
• 氢给体数：
  7
• 氢受体数：
  9