benzyl N-[2-[(2S,3R,4R,5R)-2-[(1R,2R,3S,5R,6S)-2-[(2R,3R,6S)-6-(azidomethyl)-3-(phenylmethoxycarbonylamino)oxan-2-yl]oxy-6-hydroxy-5-[[(2S)-2-hydroxy-4-(phenylmethoxycarbonylamino)butanoyl]amino]-3-(phenylmethoxycarbonylamino)cyclohexyl]oxy-4-[(2R,3R,4R,5S,6S)-4,5-dihydroxy-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxy-5-(hydroxymethyl)oxolan-3-yl]oxyethyl]-N-(2-phenylethyl)carbamate | 940287-08-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: benzyl N-[2-[(2S,3R,4R,5R)-2-[(1R,2R,3S,5R,6S)-2-[(2R,3R,6S)-6-(azidomethyl)-3-(phenylmethoxycarbonylamino)oxan-2-yl]oxy-6-hydroxy-5-[[(2S)-2-hydroxy-4-(phenylmethoxycarbonylamino)butanoyl]amino]-3-(phenylmethoxycarbonylamino)cyclohexyl]oxy-4-[(2R,3R,4R,5S,6S)-4,5-dihydroxy-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxy-5-(hydroxymethyl)oxolan-3-yl]oxyethyl]-N-(2-phenylethyl)carbamate
• CAS: 940287-08-1
• 化学式: C₈₅H₁₀₀N₁₀O₂₅
• 分子量: 1661.78
• InChiKey: QTMBVEQPRDOMDC-QEEKKOMBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  120
• 可旋转键数：
  44
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  430
• 氢给体数：
  11
• 氢受体数：
  27

反应信息

• 作为产物：
  描述：

  在 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以24%的产率得到benzyl N-[2-[(2S,3R,4R,5R)-2-[(1R,2R,3S,5R,6S)-2-[(2R,3R,6S)-6-(azidomethyl)-3-(phenylmethoxycarbonylamino)oxan-2-yl]oxy-6-hydroxy-5-[[(2S)-2-hydroxy-4-(phenylmethoxycarbonylamino)butanoyl]amino]-3-(phenylmethoxycarbonylamino)cyclohexyl]oxy-4-[(2R,3R,4R,5S,6S)-4,5-dihydroxy-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxy-5-(hydroxymethyl)oxolan-3-yl]oxyethyl]-N-(2-phenylethyl)carbamate
  参考文献：
  名称：

  WO2007/64954

  摘要：

  公开号：

文献信息

• ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS
  申请人：Swayze Eric E.

  公开号：US20080293649A1

  公开（公告）日：2008-11-27

  The present invention is directed to analogs of aminoglycoside compounds as well as their preparation and use as prophylactic or therapeutics against microbial infection.
• US7893039B2
  申请人：——

  公开号：US7893039B2

  公开（公告）日：2011-02-22