Conformation of 3-substituted purine nucleoside studied by x-ray crystallography and theoretical calculations

Y. Yamagata, M. Kato, S. Fujii, M. Aoyagi, N. Minakawa, A. Matsuda

Research output: Contribution to journalArticle

5 Scopus citations

Abstract

In the crystal state the molecule has the high anti conformation about the glycosidic bond with the torsion angle of -79°. The sugar ring is puckered with C(1 ‘)-exo, G(2')-endo, and the conformation about the C(4?)—C(5’) bond is gauche—trans. The quantum chemical calculations show that the lowest energy conformation about the glycosidic bond of 3—methyl-3—deazainosine is anti shifted to high anti, whereas in inosine the syn conformation is stable as well as the anti conformation. The molecular conformation of 3—methyl-3—deazainosine has been investigated by X-ray crystallographic and theoretical studies.

Original languageEnglish (US)
Pages (from-to)1327-1335
Number of pages9
JournalNucleosides and Nucleotides
Volume13
Issue number6-7
DOIs
StatePublished - Jul 1 1994

ASJC Scopus subject areas

  • Biochemistry
  • Genetics

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