| 188423-78-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• CAS: 188423-78-1
• 化学式: C₅H₅N₅*C₅H₆N₂O₂*OV*O₄S
• 分子量: 424.248
• InChiKey: IFORKKAOIBVSGR-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.15
• 重原子数：
  26.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  243.53
• 氢给体数：
  4.0
• 氢受体数：
  11.0

反应信息

• 作为产物：
  描述：

  胸腺嘧啶 以 乙醇 、 水 为溶剂， 生成
  参考文献：
  名称：

  Oxovanadium(IV) and Dioxouranium(VI) Complexes with Nucleic Acid Bases

  摘要：

  Simple and mixed ligand oxovanadium(IV) and dioxouranium(VI) complexes with adenine and uracil as well as with adenine and thymine have been synthesized. The new complexes were characterised by elemental analyses. Spectral studies suggest that adenine is coordinated to the metal ions through the N(7) and N(9) atoms. Uracil is coordinated through the C-4 = O group while thymine through its C-2 = O group to the metal ions. The complexes involving adenine are polymeric in nature with adenine bridges between metal ions. The oxovanadium(IV) complexes exhibit the coordination number five and the dioxouranium(VI) complexes the coordination number six. Powder X-ray diffraction studies indicate orthorhombic symmetry for the oxovanadium(IV) and tetragonal symmetry for the dioxouranium(VI) mixed ligand complexes.

  DOI：

  10.1080/00945719708000151