Acetic acid (2S,4S)-4-(6-hydroxymethyl-purin-9-yl)-tetrahydro-furan-2-ylmethyl ester | 175470-60-7

• 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: Acetic acid (2S,4S)-4-(6-hydroxymethyl-purin-9-yl)-tetrahydro-furan-2-ylmethyl ester
• CAS: 175470-60-7
• 化学式: C₁₃H₁₆N₄O₄
• 分子量: 292.294
• InChiKey: KIQZWMRLIKJHAV-UWVGGRQHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.21
• 重原子数：
  21.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  99.36
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  Acetic acid (2S,4S)-4-(6-hydroxymethyl-purin-9-yl)-tetrahydro-furan-2-ylmethyl ester 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以76%的产率得到4(S)-(6-hydroxymethyl-9H-purin-9-yl)tetrahydro-2(S)-furanmethanol
  参考文献：
  名称：

  Synthesis and Conformational Studies of New Purine Isodideoxynucleosides

  摘要：

  The synthesis and NMR conformational correlations (preferred syn or anti) of new isomeric dideoxynucleosides of potential antiviral interest are described. These compounds are related to the potently active anti-HIV compound, (S,S)-isodideoxy-adenosine.

  DOI：

  10.1080/07328319608002371
• 作为产物：
  描述：

  4(S)-(6-hydroxymethyl-9H-1,6-dihydropurin-9-yl)tetrahydro-2(S)-furanmethylacetate 在 phenyltrimethylammonium tribromide 作用下， 以 甲醇 为溶剂， 反应 0.08h， 以71%的产率得到Acetic acid (2S,4S)-4-(6-hydroxymethyl-purin-9-yl)-tetrahydro-furan-2-ylmethyl ester
  参考文献：
  名称：

  Synthesis and Conformational Studies of New Purine Isodideoxynucleosides

  摘要：

  The synthesis and NMR conformational correlations (preferred syn or anti) of new isomeric dideoxynucleosides of potential antiviral interest are described. These compounds are related to the potently active anti-HIV compound, (S,S)-isodideoxy-adenosine.

  DOI：

  10.1080/07328319608002371