1-Benzyloxycarbonylamino-5,16-dihydroxy-26-(N-acetyl-hydroxylamino)-6,9,17,20-tetraoxo-5,10,16,21-tetraaza-hexaeikosan | 2518-88-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-Benzyloxycarbonylamino-5,16-dihydroxy-26-(N-acetyl-hydroxylamino)-6,9,17,20-tetraoxo-5,10,16,21-tetraaza-hexaeikosan
• CAS: 2518-88-9
• 化学式: C₃₂H₅₂N₆O₁₀
• 分子量: 680.799
• InChiKey: KKLHKPHJTWFIRA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  48.0
• 可旋转键数：
  25.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  218.15
• 氢给体数：
  6.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  1-Benzyloxycarbonylamino-5,16-dihydroxy-26-(N-acetyl-hydroxylamino)-6,9,17,20-tetraoxo-5,10,16,21-tetraaza-hexaeikosan 在 palladium on activated charcoal 氢气 作用下， 以 溶剂黄146 为溶剂， 生成 1-Acetyl-5.16-hydroxy-26--6.9.17.20-tetraoxo-5.10.16.21-tetraaza-hexaeikosan
  参考文献：
  名称：

  Stoffwechselprodukte von Mikroorganismen 49. Mitteilung. Die Ferrioxamine A1, A2 und D2

  摘要：

  AbstractThe structures of the ferrioxamines A1, A2, and D2, minor components of the sideramine mixtures from cultures of Streptomyces, have been determined by degradation and, in part, by synthesis. Whereas the previously investigated ferrioxamines B, D1, E, and G contain but a single basic component, 1‐amino‐5‐hydroxylaminopentane, the ferrioxamines A1, A2, and D2 contain in addition to this base its lower homologue, 1‐amino‐4‐hydroxylamino‐butane.

  DOI：

  10.1002/hlca.19650480407
• 作为产物：
  描述：

  N-(4-benzyloxycarbonylamino-butyl)-N-hydroxy-succinamic acid 在 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 生成 1-Benzyloxycarbonylamino-5,16-dihydroxy-26-(N-acetyl-hydroxylamino)-6,9,17,20-tetraoxo-5,10,16,21-tetraaza-hexaeikosan
  参考文献：
  名称：

  Stoffwechselprodukte von Mikroorganismen 49. Mitteilung. Die Ferrioxamine A1, A2 und D2

  摘要：

  AbstractThe structures of the ferrioxamines A1, A2, and D2, minor components of the sideramine mixtures from cultures of Streptomyces, have been determined by degradation and, in part, by synthesis. Whereas the previously investigated ferrioxamines B, D1, E, and G contain but a single basic component, 1‐amino‐5‐hydroxylaminopentane, the ferrioxamines A1, A2, and D2 contain in addition to this base its lower homologue, 1‐amino‐4‐hydroxylamino‐butane.

  DOI：

  10.1002/hlca.19650480407