7-Vinyl-8-aza-7-deaza-2'-deoxyadenosine monohydrate.

Research paper by Frank F Seela, Yunlong Y Zhang, Kuiying K Xu, Henning H Eickmeier

Indexed on: 11 Jan '05Published on: 11 Jan '05Published in: Acta crystallographica. Section C, Crystal structure communications


In the title compound, 4-amino-1-(2-deoxy-beta-D-eythro-pentofuranosyl)-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.