| 1334037-59-0

• 分子结构分类: 有机化合物
• CAS: 1334037-59-0
• 化学式: C₅H₈N₂O₃P
• 分子量: 175.104
• InChiKey: GDEZMTISTPBFIZ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.24
• 重原子数：
  11.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  67.18
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  生成 Phosphat-monoethyl
  参考文献：
  名称：

  Phosphorylimidazole Derivatives: Potentially Biosignaling Molecules

  摘要：

  The phosphorylation of imidazole by two activated phosphate diesters and a triester gives phosphorylimidazole derivatives that are stable enough in aqueous solution to be observed and identified by ESI-MS/MS and NMR Half-lives ranging from hours to days (in the case of the monoethyl ester) show that it is possible to design molecules with variable half-lives with potential to be used for biological intervention experiments as possible inhibitors of biosignaling processes or as haptens for the generation of antibodies.

  DOI：

  10.1021/jo2017394
• 作为产物：
  描述：

  咪唑 、 diester ethyl 2,4-dinitrophenyl phosphate 生成
  参考文献：
  名称：

  Phosphorylimidazole Derivatives: Potentially Biosignaling Molecules

  摘要：

  The phosphorylation of imidazole by two activated phosphate diesters and a triester gives phosphorylimidazole derivatives that are stable enough in aqueous solution to be observed and identified by ESI-MS/MS and NMR Half-lives ranging from hours to days (in the case of the monoethyl ester) show that it is possible to design molecules with variable half-lives with potential to be used for biological intervention experiments as possible inhibitors of biosignaling processes or as haptens for the generation of antibodies.

  DOI：

  10.1021/jo2017394