[3-Acetamido-5-[3-acetamido-5-[4-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] [hydroxy(3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenoxy)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: [3-Acetamido-5-[3-acetamido-5-[4-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] [hydroxy(3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenoxy)phosphoryl] hydrogen phosphate
• 英文别名: [3-acetamido-5-[3-acetamido-5-[4-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] [hydroxy(3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenoxy)phosphoryl] hydrogen phosphate
• 化学式: C₇₁H₁₂₂N₂O₄₂P₂
• 分子量: 1737.7
• InChiKey: HYYPTQKNNHAOBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.2
• 重原子数：
  117
• 可旋转键数：
  41
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  685
• 氢给体数：
  24
• 氢受体数：
  42