[Hg(9-methyladeninium)2(H2O)(NO3)3]ClO4 | 200203-22-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [Hg(9-methyladeninium)2(H2O)(NO3)3]ClO4
• CAS: 200203-22-1
• 化学式: C₁₂H₁₈HgN₁₃O₁₀*ClO₄
• 分子量: 804.397
• InChiKey: VOEKROLZKPMBKZ-UHFFFAOYSA-O

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

• 作为产物：
  描述：

  9-甲基腺嘌呤 、 sodium perchlorate 、 mercury(II) nitrate 在 HNO₃ 作用下， 以 水 为溶剂， 以21%的产率得到[Hg(9-methyladeninium)2(H2O)(NO3)3]ClO4
  参考文献：
  名称：

  A bis(9-methyladeninium) complex of Hg(II) with a highly irregular coordination geometry: [Hg(9-MeAH-N7)2(H2O)(NO3)3]ClO4

  摘要：

  Reaction of Hg(NO3)(2) with the model nucleobase 9-methyladenine (9-MeA) at pH 2.5 and in the presence of NaClO4 yields the compound [Hg(9-MeAH-N7)(2)(H2O)(NO3)(3)]ClO4 with two 9-methyladeninium ligands bound to Hg(II) via the N7 positions. The X-ray structure is reported: monoclinic, P2(1)/a, a=16.438(6), b=14.381(5), c=10.210(4) Angstrom, beta=90.23(3)degrees, V=2414(3) Angstrom(3), Z=4. Hg is six-coordinate but displays a highly irregular coordination geometry with valence angles at the mercury ranging from 68.2(3) to 159.2(4)degrees. There are no two ligand donor atoms that are at least approximately colinear with the heavy metal ion. This asymmetry appears to be a consequence of relatively weak bonds between Hg(II) and the protonated adenine nucleobases (2.11(1) and 2.12(1) Angstrom). The findings are briefly discussed with regard to possible geometries of Hg(II)-DNA cross-links. (C) 1998 Elsevier Science S.A.

  DOI：

  10.1016/s0020-1693(97)05559-x