[(2S,3R,4S,6R)-6-[(2S,3R,4R,5S,6R)-3-(3-dodecanoyloxytetradecanoylamino)-6-(hydroxymethyl)-5-phosphonooxy-4-(3-tetradecanoyloxytetradecanoyloxy)oxan-2-yl]oxy-2-hydroxy-3-(3-hydroxytetradecanoylamino)oxan-4-yl] 3-hydroxytetradecanoate;[3-(octadecylcarbamoyloxymethyl)cyclobutyl]methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(2S,3R,4S,6R)-6-[(2S,3R,4R,5S,6R)-3-(3-dodecanoyloxytetradecanoylamino)-6-(hydroxymethyl)-5-phosphonooxy-4-(3-tetradecanoyloxytetradecanoyloxy)oxan-2-yl]oxy-2-hydroxy-3-(3-hydroxytetradecanoylamino)oxan-4-yl] 3-hydroxytetradecanoate;[3-(octadecylcarbamoyloxymethyl)cyclobutyl]methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate
• 化学式: C129H237N5O26P+
• 分子量: 2305.2
• InChiKey: VFBWTAWRCBROGO-XRYYOEMGSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  29.96
• 重原子数：
  161
• 可旋转键数：
  111
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  428
• 氢给体数：
  9
• 氢受体数：
  26