[(2R,3R,4S)-4-[(2R,3R,4S,5R)-4-[[(2R,3R,4S)-4-[(2R,3R,4S,5R)-4-[3-[(2-aminoacetyl)amino]propoxy-hydroxyphosphoryl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,3,5-trihydroxypentoxy]-hydroxyphosphoryl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,3,5-trihydroxypentyl] [(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-[(2S,3R,4R)-1,3,4,5-tetrahydroxypentan-2-yl]oxyoxolan-3-yl] hydrogen phosphate | 131771-58-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子
• 英文名称: [(2R,3R,4S)-4-[(2R,3R,4S,5R)-4-[[(2R,3R,4S)-4-[(2R,3R,4S,5R)-4-[3-[(2-aminoacetyl)amino]propoxy-hydroxyphosphoryl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,3,5-trihydroxypentoxy]-hydroxyphosphoryl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,3,5-trihydroxypentyl] [(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-[(2S,3R,4R)-1,3,4,5-tetrahydroxypentan-2-yl]oxyoxolan-3-yl] hydrogen phosphate
• CAS: 131771-58-9
• 化学式: C₃₅H₆₉N₂O₃₅P₃
• 分子量: 1170.85
• InChiKey: GUPCTVQZDYVYFD-NVOUJXTJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -17.8
• 重原子数：
  75
• 可旋转键数：
  37
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.97
• 拓扑面积：
  602
• 氢给体数：
  21
• 氢受体数：
  36

反应信息

• 作为产物：
  描述：

  在 palladium on activated charcoal 氢气 作用下， 以 溶剂黄146 、 叔丁醇 为溶剂， 以43%的产率得到[(2R,3R,4S)-4-[(2R,3R,4S,5R)-4-[[(2R,3R,4S)-4-[(2R,3R,4S,5R)-4-[3-[(2-aminoacetyl)amino]propoxy-hydroxyphosphoryl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,3,5-trihydroxypentoxy]-hydroxyphosphoryl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,3,5-trihydroxypentyl] [(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-[(2S,3R,4R)-1,3,4,5-tetrahydroxypentan-2-yl]oxyoxolan-3-yl] hydrogen phosphate
  参考文献：
  名称：

  Elie, C. J. J.; Hoogerhout, P.; Muntendam, H. J., Recueil des Travaux Chimiques des Pays-Bas, 1990, vol. 109, # 9, p. 467 - 473

  摘要：

  DOI：