3-beta-D-ribofuranosyl-6,7-dihydro-9H-thiazolo[3,2-a]purin-9-one hydrate.
The title molecule, C12H14N4O5S.H2O (I), has a syn-XCN glycosyl torsion angle, which is stabilized by an intramolecular hydrogen bond between N3 of the tricylic base and O5' of the ribose (in a C2'-endo pucker). [The purine base, including atoms S and O6, of the molecule is planar to within 0.043 (2) A.] The tricyclic bases are stacked along a with an interplanar distance of 3.602 (3) A.
Institute of Molecular Biology, Academia Sinica, Nankang, Taipei, Taiwan, ROC.
Y C
YC
Liaw
A H
AH
Wang
G S
GS
Lin
J W
JW
Chern
D000970:Antineoplastic Agents / Q000737:chemistry*; D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D007288:Inosine / Q000031:analogs & derivatives* / Q000737:chemistry; D015394:Molecular Structure
D000970:Antineoplastic Agents; C088315:3-ribofuranosyl-6,7-dihydro-9H-thiazolo(3,2-a)purin-9-one; D007288:Inosine