benzyl N-[(1S,2R,3R,4S,5R)-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-4,5-dihydroxy-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(phenylmethoxycarbonylamino)-6-[(3-phenylpropylamino)methyl]oxan-2-yl]oxy-4-hydroxy-5-[[(2S)-2-hydroxy-4-(phenylmethoxycarbonylamino)butanoyl]amino]cyclohexyl]carbamate | 940286-17-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: benzyl N-[(1S,2R,3R,4S,5R)-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-4,5-dihydroxy-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(phenylmethoxycarbonylamino)-6-[(3-phenylpropylamino)methyl]oxan-2-yl]oxy-4-hydroxy-5-[[(2S)-2-hydroxy-4-(phenylmethoxycarbonylamino)butanoyl]amino]cyclohexyl]carbamate
• CAS: 940286-17-9
• 化学式: C₇₆H₉₃N₇O₂₅
• 分子量: 1504.61
• InChiKey: AZDYXUKISVDXFS-NUTFNWGVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  108
• 可旋转键数：
  38
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  450
• 氢给体数：
  15
• 氢受体数：
  26

反应信息

• 作为产物：
  描述：

  苯丙醛 、 在 溶剂黄146 、 sodium cyanoborohydride 作用下， 以 甲醇 、 四氢呋喃 为溶剂， 反应 12.08h， 生成 benzyl N-[(1S,2R,3R,4S,5R)-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-4,5-dihydroxy-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(phenylmethoxycarbonylamino)-6-[(3-phenylpropylamino)methyl]oxan-2-yl]oxy-4-hydroxy-5-[[(2S)-2-hydroxy-4-(phenylmethoxycarbonylamino)butanoyl]amino]cyclohexyl]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