benzyl (4aS,6R,7R,8R,8aS)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-2-[[(4aR,6S,7R,8S,8aS)-8-hydroxy-2-phenyl-7-(phenylmethoxycarbonylamino)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-amino-6-hydroxy-3-(phenylmethoxycarbonylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-8-hydroxy-2-phenyl-7-(phenylmethoxycarbonylamino)-4,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-e][1,3]oxazine-3-carboxylate | 1287276-19-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: benzyl (4aS,6R,7R,8R,8aS)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-2-[[(4aR,6S,7R,8S,8aS)-8-hydroxy-2-phenyl-7-(phenylmethoxycarbonylamino)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-amino-6-hydroxy-3-(phenylmethoxycarbonylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]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: 1287276-19-0
• 化学式: C₆₉H₇₇N₅O₂₂
• 分子量: 1328.39
• InChiKey: IKMXWSMMKKIOKD-IKIIOIAUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  96
• 可旋转键数：
  24
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  355
• 氢给体数：
  9
• 氢受体数：
  23

反应信息

• 作为反应物：
  描述：

  benzyl (4aS,6R,7R,8R,8aS)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-2-[[(4aR,6S,7R,8S,8aS)-8-hydroxy-2-phenyl-7-(phenylmethoxycarbonylamino)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-amino-6-hydroxy-3-(phenylmethoxycarbonylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-8-hydroxy-2-phenyl-7-(phenylmethoxycarbonylamino)-4,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-e][1,3]oxazine-3-carboxylate 、 2-羟基-4-苄氧羰酰氨基丁酸 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71%的产率得到benzyl (4aS,6R,7R,8R,8aS)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-2-[[(4aR,6S,7R,8S,8aS)-8-hydroxy-2-phenyl-7-(phenylmethoxycarbonylamino)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-hydroxy-5-[[(2S)-2-hydroxy-4-(phenylmethoxycarbonylamino)butanoyl]amino]-3-(phenylmethoxycarbonylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]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：

  WO2011044538A9
• 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 48.0h， 生成 benzyl (4aS,6R,7R,8R,8aS)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-2-[[(4aR,6S,7R,8S,8aS)-8-hydroxy-2-phenyl-7-(phenylmethoxycarbonylamino)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-amino-6-hydroxy-3-(phenylmethoxycarbonylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]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：

  WO2011044538A9