(2R,3R,4S)-3-acetamido-2-[(1R,2R)-1-[6-[6-[6-[12-[[6-[[6-[6-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-6-oxohexyl]amino]-6-oxohexyl]carbamoylamino]dodecylcarbamoylamino]hexanoylamino]hexanoylamino]hexylcarbamoyloxy]-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-6-carboxylic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (2R,3R,4S)-3-acetamido-2-[(1R,2R)-1-[6-[6-[6-[12-[[6-[[6-[6-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-6-oxohexyl]amino]-6-oxohexyl]carbamoylamino]dodecylcarbamoylamino]hexanoylamino]hexanoylamino]hexylcarbamoyloxy]-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-6-carboxylic acid
• 化学式: C₇₆H₁₃₆N₁₈O₂₂
• 分子量: 1654.0
• InChiKey: PTHLLSRRBHCGRI-FYIUDXJGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  116
• 可旋转键数：
  67
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  636
• 氢给体数：
  22
• 氢受体数：
  24