4-[[5-[[4-[2-[2-[3-Acetamido-5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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-amino-5-oxopentanoyl]amino]-6-[[1-(1-carboxyethylamino)-1-oxopropan-2-yl]amino]-6-oxohexyl]amino]-2-amino-4-oxobutanoic 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: 4-[[5-[[4-[2-[2-[3-Acetamido-5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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-amino-5-oxopentanoyl]amino]-6-[[1-(1-carboxyethylamino)-1-oxopropan-2-yl]amino]-6-oxohexyl]amino]-2-amino-4-oxobutanoic acid
• 英文别名: 4-[[5-[[4-[2-[2-[3-acetamido-5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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-amino-5-oxopentanoyl]amino]-6-[[1-(1-carboxyethylamino)-1-oxopropan-2-yl]amino]-6-oxohexyl]amino]-2-amino-4-oxobutanoic acid
• 化学式: C₉₈H₁₆₂N₁₀O₂₈P₂
• 分子量: 1990.3
• InChiKey: LBWQSTBUXZWAPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  138
• 可旋转键数：
  67
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  597
• 氢给体数：
  18
• 氢受体数：
  29