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

Abstract

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.