7-Vinyl-8-aza-7-deaza-2'-deoxyadenosine monohydrate.
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.
Seela
Frank
F
Laboratorium für Organische und Bioorganische Chemie, Institut für Chemie, Universität Osnabrück, Barbarastrasse 7, 49069 Osnabrück, Germany. frank.seela@uni-osnabrueck.de
Zhang
Yunlong
Y
Xu
Kuiying
K
Eickmeier
Henning
H
D001372:Aza Compounds / Q000737:chemistry*; D018360:Crystallography, X-Ray; D003839:Deoxyadenosines / Q000737:chemistry*; D006860:Hydrogen Bonding; D015394:Molecular Structure; D014753:Vinyl Compounds / Q000737:chemistry*; D014867:Water / Q000737:chemistry
D001372:Aza Compounds; D003839:Deoxyadenosines; D014753:Vinyl Compounds; D014867:Water