Trimethyl-[2-[4,4,5,5,8,8,9,9,12-nonaethyl-10-(2-hydroxypropylcarbamoyl)-2,6,10,12-tetramethyl-2-(3-methylpentan-3-yl)-6-[2-[4-[[5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridin-2-yl]hydrazinylidene]pentanoylamino]ethylcarbamoyl]tetradecanoyl]oxyethyl]azanium

• 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: Trimethyl-[2-[4,4,5,5,8,8,9,9,12-nonaethyl-10-(2-hydroxypropylcarbamoyl)-2,6,10,12-tetramethyl-2-(3-methylpentan-3-yl)-6-[2-[4-[[5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridin-2-yl]hydrazinylidene]pentanoylamino]ethylcarbamoyl]tetradecanoyl]oxyethyl]azanium
• 英文别名: trimethyl-[2-[4,4,5,5,8,8,9,9,12-nonaethyl-10-(2-hydroxypropylcarbamoyl)-2,6,10,12-tetramethyl-2-(3-methylpentan-3-yl)-6-[2-[4-[[5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridin-2-yl]hydrazinylidene]pentanoylamino]ethylcarbamoyl]tetradecanoyl]oxyethyl]azanium
• 化学式: C68H123N8O7S2+
• 分子量: 1228.9
• InChiKey: NOBKGVKLBRCIDD-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  16.2
• 重原子数：
  85
• 可旋转键数：
  41
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  249
• 氢给体数：
  5
• 氢受体数：
  12