9-(1,3-anhydro-beta-D-psicofuranosyl)adenine

Autor(en): Roivainen, J.
Mikhailopulo, I.
Reuter, H. 
Eickmeier, H.
Stichwörter: Chemistry; Chemistry, Multidisciplinary; Crystallography; NUCLEOSIDES
Erscheinungsdatum: 2006
Herausgeber: BLACKWELL PUBLISHING
Journal: ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS
Volumen: 62
Ausgabe: 11
Startseite: O659-O660
Zusammenfassung: 
In the structure of the title compound, C11H13N5O4, the glycosidic torsion angle, (chi), is. 107.1 (2)degrees [nucleic acid nomenclature used throughout the manuscript; IUPAC-IUB Joint Commision on Biochemical Nomenclature (1983). Eur. J. Biochem. 131, 9-15], indicating the anti conformation. The furanosyl ring adopts an N-type sugar pucker with the following pseudorotational parameters: P-N = 50.5 (2)degrees and nu(max) = 34.9 (1)degrees. The conformation around the C5'-C6' bond is ap (gauche, trans; gt; -g), with a torsion angle gamma of 176.28 (19)degrees. The 1',2'-oxetane ring is not planar but folded along C3'(...)C1', with an angle of 9.6 (1)degrees.
ISSN: 01082701
DOI: 10.1107/S0108270106037759

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