(2R,3R,4S,5S,6R)-5-amino-2-[[(2R,3S,4R,5S)-3-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methoxy]-6-(aminomethyl)oxane-3,4-diol | 620171-95-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2R,3R,4S,5S,6R)-5-amino-2-[[(2R,3S,4R,5S)-3-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methoxy]-6-(aminomethyl)oxane-3,4-diol
• CAS: 620171-95-1
• 化学式: C₂₉H₅₈N₈O₁₆
• 分子量: 774.824
• InChiKey: JVHISFFMWVTTAH-MMKYGIIOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -11.1
• 重原子数：
  53
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  444
• 氢给体数：
  16
• 氢受体数：
  24

反应信息

• 作为产物：
  描述：

  在 sodium hydroxide 、 三甲基膦 作用下， 以 四氢呋喃 为溶剂， 反应 3.5h， 以96%的产率得到(2R,3R,4S,5S,6R)-5-amino-2-[[(2R,3S,4R,5S)-3-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methoxy]-6-(aminomethyl)oxane-3,4-diol
  参考文献：
  名称：

  A New Class of Branched Aminoglycosides:  Pseudo-Pentasaccharide Derivatives of Neomycin B

  摘要：

  The clinically important antibiotic neomycin B was modified at position C5" by adding one extra sugar ring in the beta-configuration, and the observed pseudo-pentasaccharides were tested against various bacterial strains, including pathogenic and resistant strains. The designed antibiotics show antibacterial activity superior to that of neomycin B against pathogenic and resistant bacterial strains.

  DOI：

  10.1021/ol035213i