7-Vinyl-8-aza-7-deaza-2 `-deoxyadenosine monohydrate

Autor(en): Seela, F
Zhang, YL
Xu, KY
Eickmeier, H
Stichwörter: Chemistry; Chemistry, Multidisciplinary; Crystallography; DNA; OLIGONUCLEOTIDES; STABILITY
Erscheinungsdatum: 2005
Herausgeber: BLACKWELL MUNKSGAARD
Journal: ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS
Volumen: 61
Ausgabe: 1
Startseite: O60-O62
Zusammenfassung: 
In the title compound, 4-amino-1-(2-deoxy-beta-D-eythropentofuranosyl)-3- vinyl-1H-pyrazolo[3,4-d] pyrimidine monohydrate, C12H15N5O3.H2O, the conformation of the glycosyl bond is anti. The furanose moiety is in an S conformation with an unsymmetrical twist, and the conformation at the exocyclic C - C( OH) bond is sc ( gauche, gauche). The vinyl side chain is bent out of the heterocyclic ring plane by 147.5 ( 5) degrees. The three-dimensional packing is stabilized by O - H ... O, O H ... N and N - H ... O hydrogen bonds.
ISSN: 01082701
DOI: 10.1107/S0108270104029476

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