[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2R,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] [hydroxy-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-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] hydrogen phosphate

• 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: [(2R,3R,4R,5S,6R)-3-acetamido-5-[(2R,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] [hydroxy-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-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] hydrogen phosphate
• 化学式: C₇₁H₁₁₈N₂O₁₇P₂
• 分子量: 1333.6
• InChiKey: CALMUTCFVFZDOC-LOAIRAOCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.7
• 重原子数：
  92
• 可旋转键数：
  43
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  289
• 氢给体数：
  9
• 氢受体数：
  17