(2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5S)-6-[2-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxyethylamino]oxy-1,2,4,5-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxyoxane-2-carboxylic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5S)-6-[2-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxyethylamino]oxy-1,2,4,5-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxyoxane-2-carboxylic acid
• 化学式: C₃₉H₇₀N₃O₃₃P
• 分子量: 1139.9
• InChiKey: KAJUNMNZXGMYII-LVKACGHZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -14.7
• 重原子数：
  76
• 可旋转键数：
  32
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  589
• 氢给体数：
  22
• 氢受体数：
  34