[(diethylenetriamine)Pd(D2O)](2+) | 76586-31-7

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: [(diethylenetriamine)Pd(D2O)](2+)
• CAS: 76586-31-7
• 化学式: C₄H₁₅N₃OPd
• 分子量: 229.587
• InChiKey: QCYHXISXWHXJCQ-ZSJDYOACSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  [(diethylenetriamine)Pd(D2O)](2+) 、 胞嘧啶 以 重水 为溶剂， 生成 [(diethylenetriamine)Pd(cytosine-N3)](2+) 、 [(diethylenetriamine)Pd(cytosine-N3)](2+) 、 [(diethylenetriamine)Pd(NC(O)NC(NH2CHCH)Pd(diethylenetriamine)](3+)
  参考文献：
  名称：

  Metal-stabilized rare tautomers of nucleobases. 8. Promotion of rare cytosine tautomer upon complex formation with (dien)M2+ (M=Pt, Pd)

  摘要：

  Reactions of (dien)M2+ (M = Pt, Pd) with cytosine (CH) lead to mixtures of linkage isomers with N3 and N1 bonded metal entities as well as N3,N1 bridged species, as demonstrated by H-1 NMR spectroscopy. The N3 linkage isomer is preferred over the NI linkage isomer throughout the pH range studied (2.5-9), but the ratio does not parallel the equilibrium constant between the aminooxo tautomer (1) (proton at NI) and the aminooxo tautomer (II) (proton at N3), which has been estimated to be close to 1000 in solution. Rather, the minor tautomer (II) is complexed to a much higher extent. This finding is potentially significant for any metal-nucleobase interaction in that it suggests that metal complexes of rare tautomers may be formed more readily than generally assumed. X-ray data of four (CH-N3) complexes as well as of the first example of a (C-N1,N3) bridged compound are reported. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)00938-6