Quantum chemical studies on tautomerization of uric acid

被引：4

作者：

Demir, TA ^{[1
]}

Ögretir, C ^{[1
]}

Görgün, K ^{[1
]}

Yaman, A ^{[1
]}

机构：

[1] Osmangazi Univ, Fac Arts Sci, Dept Chem, TR-26480 Eskisehir, Turkey

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 2004年 / 684卷 / 1-3期

关键词：

uric acid; tautomerizm; quantum chemical studies; ring-chain tautomerizm; prototropic tautomerizm;

D O I：

10.1016/j.theochem.2004.04.061

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The preferred tautomeric form of biologically active uric acid molecule was predicted using the gas phase semi-empirically calculated relative stabilities, aqueous phase calculated acidity constants and the other molecular properties. The obtained results had indicated that the trioxo, dioxo or monooxo forms are favored over the dihydroxy, monohydroxy or trihydroxy forms tautomerically, successively for ring-chain tautomerizm. The same trend, however, was not observed for annular the tautomerizm. (C) 2004 Elsevier B.V. All rights reserved.

引用

页码：149 / 157

页数：9

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