| 1053181-34-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• CAS: 1053181-34-2
• 化学式: C₄₀H₃₇N₃O₈
• 分子量: 687.749
• InChiKey: MDNAURJHIBZUIU-XIHRHSJOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.48
• 重原子数：
  51.0
• 可旋转键数：
  14.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  138.28
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  在 氯化铵 、 锌 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 3-(2-(((2S,3R,4R,5S,6R)-3-amino-5-(benzoyloxy)-6-(methoxymethyl)-4-(naphthalen-2-ylmethoxy)tetrahydro-2H-pyran-2-yl)oxy)ethyl)phenyl benzoate
  参考文献：
  名称：

  Synthesis of a metabolite of an anti-angiogenic lead candidate based on a d-glucosamine motif

  摘要：

  A rapid synthetic access to ACL 21269 was established in 12 steps starting from thiogylcoside 9 utilizing synthons 8 and 6 to introduce the pharmacophores at positions 1 and 2. The functional groups decorating the glucosamine scaffold were introduced in a particular order and common protecting groups were employed to establish a robust synthetic process. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.06.009
• 作为产物：
  描述：

  3α-benzoyloxynortropane 、 在 4 Angstroem MS 、 三氟甲烷磺酸甲酯 作用下， 以 乙醚 为溶剂， 以31%的产率得到
  参考文献：
  名称：

  Synthesis of a metabolite of an anti-angiogenic lead candidate based on a d-glucosamine motif

  摘要：

  A rapid synthetic access to ACL 21269 was established in 12 steps starting from thiogylcoside 9 utilizing synthons 8 and 6 to introduce the pharmacophores at positions 1 and 2. The functional groups decorating the glucosamine scaffold were introduced in a particular order and common protecting groups were employed to establish a robust synthetic process. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.06.009