9,9'-(pentane-1,5-diyl)diadenine | 33147-26-1

• 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: 9,9'-(pentane-1,5-diyl)diadenine
• 英文别名: 9H,9'H-9,9'-pentane-1,5-diyl-bis-purin-6-ylamine；9H,9'H-9,9'-pentanediyl-bis-purin-6-ylamine；9H,9'H-9,9'-Pentandiyl-bis-purin-6-ylamin；1,5-Bis(9-adenyl)-pentan；9-[5-(6-Aminopurin-9-yl)pentyl]purin-6-amine；9-[5-(6-aminopurin-9-yl)pentyl]purin-6-amine
• CAS: 33147-26-1
• 化学式: C₁₅H₁₈N₁₀
• 分子量: 338.375
• InChiKey: DZLSZAWDCQADNQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  139
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1-氯-5-碘戊烷 、 alkaline earth salt of/the/ methylsulfuric acid 生成 9,9'-(pentane-1,5-diyl)diadenine
  参考文献：
  名称：

  Analogs of Nucleotides. I. Theophyllinylalkylphosphonic Acids and Related Compounds¹

  摘要：

  DOI：

  10.1021/ja01614a008

文献信息

• NMR study of 9,9′-(alkane-α,ω-diyl)diadenine
  作者：Toshio Itahara

  DOI：10.1039/p29960002695

  日期：——

  The relationship between NMR chemical shifts of adenine ring protons of low concentrations of 9,9'-(alkane-alpha,omega-diyl)diadenine and the length of the polymethylene chains has been investigated in buffer solutions at pD 1.0, 7.0 and 13.0 and in organic solvents such as CD3OD, (CF3)(2)CDOD, [H-2(6)]dimethyl sulfoxide and CF3COOD. The chemical shifts were compared with those of 9-(omega-bromoalkyl)adenine.
• Analogs of Nucleotides. I. Theophyllinylalkylphosphonic Acids and Related Compounds¹
  作者：Jekishan R. Parikh、Alfred Burger

  DOI：10.1021/ja01614a008

  日期：1955.5