2-[2-[2-[3-Acetamido-5-hydroxy-2-[hydroxy-[hydroxy(3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy)phosphoryl]oxyphosphoryl]oxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-5-[[6-amino-1-[[1-(1-carboxyethylamino)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

• 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: 2-[2-[2-[3-Acetamido-5-hydroxy-2-[hydroxy-[hydroxy(3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy)phosphoryl]oxyphosphoryl]oxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-5-[[6-amino-1-[[1-(1-carboxyethylamino)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid
• 化学式: C₈₆H₁₄₃N₇O₂₁P₂
• 分子量: 1673.0
• InChiKey: SULOOAFLXMQJSF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.1
• 重原子数：
  116
• 可旋转键数：
  59
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  436
• 氢给体数：
  13
• 氢受体数：
  22