Quantum chemical studies on tautomerization of uric acid
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.684, pp.149-157, 2004 (SCI-Expanded, Scopus)
- Publication Type: Article / Article
- Volume: 684
- Publication Date: 2004
- Doi Number: 10.1016/j.theochem.2004.04.061
- Journal Name: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
- Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Page Numbers: pp.149-157
- Eskisehir Osmangazi University Affiliated: Yes
Abstract
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.