[(1R,2R,4R,5S)-4-(6-Amino-purin-9-yl)-bicyclo[3.1.0]hex-2-yloxymethyl]-phosphonic acid | 185800-80-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: [(1R,2R,4R,5S)-4-(6-Amino-purin-9-yl)-bicyclo[3.1.0]hex-2-yloxymethyl]-phosphonic acid
• CAS: 185800-80-0
• 化学式: C₁₂H₁₆N₅O₄P
• 分子量: 325.264
• InChiKey: URWWZMYUWJSOQU-JQCXWYLXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.51
• 重原子数：
  22.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  136.38
• 氢给体数：
  3.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  [(1R,2R,4R,5S)-4-(6-Amino-purin-9-yl)-bicyclo[3.1.0]hex-2-yloxymethyl]-phosphonic acid 以25%的产率得到[(1R,2R,4R,5S)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]oxymethyl-phosphonooxyphosphinic acid
  参考文献：
  名称：

  Modified triphosphates of carbocyclic nucleoside analogues: Synthesis, stability towards alkaline phosphatase and substrate properties for some DNA polymerases

  摘要：

  New triphosphate derivatives of carbocyclic nucleoside analogues have been synthesized and shown to be potent substrates for terminal deoxynucleotidyltransferase and/or HIV reverse transcriptase; the compounds are stable to dephosphorylation with human placental alkaline phosphatase. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00482-9
• 作为产物：
  描述：

  (1R,2R,4R,5S)-(+)-4-(6-Aminopurin-9-yl)bicyclo[3.1.0]hexan-2-ol 、 alkaline earth salt of/the/ methylsulfuric acid 生成 [(1R,2R,4R,5S)-4-(6-Amino-purin-9-yl)-bicyclo[3.1.0]hex-2-yloxymethyl]-phosphonic acid
  参考文献：
  名称：

  Modified triphosphates of carbocyclic nucleoside analogues: Synthesis, stability towards alkaline phosphatase and substrate properties for some DNA polymerases

  摘要：

  New triphosphate derivatives of carbocyclic nucleoside analogues have been synthesized and shown to be potent substrates for terminal deoxynucleotidyltransferase and/or HIV reverse transcriptase; the compounds are stable to dephosphorylation with human placental alkaline phosphatase. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00482-9