N8-(2'-O-methylribofuranosyl)-8-aza-7-deazaadenine monohydrate.
In the title compound, 4-amino-2-(2-O-methyl-beta-D-ribofuranosyl)-2H-pyrazolo[3,4-d]pyrimidine monohydrate, C11H15N5O4.H2O, the conformation of the N-glycosylic bond is syn [chi = 20.1 (2) degrees ]. The ribofuranose moiety shows a C3'-endo (3T2) sugar puckering (N-type sugar), and the conformation at the exocyclic C4'-C5' bond is -ap (trans). The nucleobases are stacked head-to-head. The three-dimensional packing of the crystal structure is stabilized by hydrogen bonds between the 2'-O-methylribonucleosides and the solvent molecules.
Zhang
Xiaomei
X
Laboratorium für Organische und Bioorganische Chemie, Institut für Chemie, Universität Osnabrück, Barbarastrasse 7, 49069 Osnabrück, Germany.
Budow
Simone
S
Leonard
Peter
P
Eickmeier
Henning
H
Seela
Frank
F
D000225:Adenine / Q000031:analogs & derivatives* / Q000737:chemistry*; D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D015394:Molecular Structure; D009005:Monosaccharides / Q000737:chemistry*; D013056:Spectrophotometry, Ultraviolet
D009005:Monosaccharides; C515544:N8-(2'-O-methylribofuranosyl)-8-aza-7-deazaadenine monohydrate; D000225:Adenine