benzyl (4aR,6R,7R,8S,8aS)-6-[(1R,2R,3S,4R,6S)-2-[(2S,3R,4S,5R)-4-[[(4aS,6R,7R,8R,8aS)-8-hydroxy-2-phenyl-3-phenylmethoxycarbonyl-7-(phenylmethoxycarbonylamino)-4,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-e][1,3]oxazin-6-yl]oxy]-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-amino-3-hydroxy-6-(phenylmethoxycarbonylamino)cyclohexyl]oxy-8-hydroxy-2-phenyl-7-(phenylmethoxycarbonylamino)-4,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-e][1,3]oxazine-3-carboxylate | 1284263-67-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: benzyl (4aR,6R,7R,8S,8aS)-6-[(1R,2R,3S,4R,6S)-2-[(2S,3R,4S,5R)-4-[[(4aS,6R,7R,8R,8aS)-8-hydroxy-2-phenyl-3-phenylmethoxycarbonyl-7-(phenylmethoxycarbonylamino)-4,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-e][1,3]oxazin-6-yl]oxy]-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-amino-3-hydroxy-6-(phenylmethoxycarbonylamino)cyclohexyl]oxy-8-hydroxy-2-phenyl-7-(phenylmethoxycarbonylamino)-4,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-e][1,3]oxazine-3-carboxylate
• CAS: 1284263-67-7
• 化学式: C₇₇H₈₄N₆O₂₃
• 分子量: 1461.54
• InChiKey: DVOFYEWQDYALRJ-YMPUAYOQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  106
• 可旋转键数：
  27
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  375
• 氢给体数：
  9
• 氢受体数：
  24

反应信息

• 作为反应物：
  描述：

  (2S,3R)-N-Cbz-2,3-bisbenzyloxy-4-amino-butyric acid 、 benzyl (4aR,6R,7R,8S,8aS)-6-[(1R,2R,3S,4R,6S)-2-[(2S,3R,4S,5R)-4-[[(4aS,6R,7R,8R,8aS)-8-hydroxy-2-phenyl-3-phenylmethoxycarbonyl-7-(phenylmethoxycarbonylamino)-4,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-e][1,3]oxazin-6-yl]oxy]-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-amino-3-hydroxy-6-(phenylmethoxycarbonylamino)cyclohexyl]oxy-8-hydroxy-2-phenyl-7-(phenylmethoxycarbonylamino)-4,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-e][1,3]oxazine-3-carboxylate 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以82.5%的产率得到
  参考文献：
  名称：

  [EN] ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS
  [FR] ANALOGUES D'AMINOGLYCOSIDE ANTIBACTÉRIENS

  摘要：

  公开号：

  WO2011044502A9
• 作为产物：
  描述：

  在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 以68%的产率得到benzyl (4aR,6R,7R,8S,8aS)-6-[(1R,2R,3S,4R,6S)-2-[(2S,3R,4S,5R)-4-[[(4aS,6R,7R,8R,8aS)-8-hydroxy-2-phenyl-3-phenylmethoxycarbonyl-7-(phenylmethoxycarbonylamino)-4,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-e][1,3]oxazin-6-yl]oxy]-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-amino-3-hydroxy-6-(phenylmethoxycarbonylamino)cyclohexyl]oxy-8-hydroxy-2-phenyl-7-(phenylmethoxycarbonylamino)-4,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-e][1,3]oxazine-3-carboxylate
  参考文献：
  名称：

  [EN] ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS
  [FR] ANALOGUES D'AMINOGLYCOSIDE ANTIBACTÉRIENS

  摘要：

  公开号：

  WO2011044502A9