9-(1,3-anhydro-β-D-psicofuranosyl)adenine

被引：3
|
作者：
Roivainen, J.
Mikhailopulo, I.
Reuter, H.
Eickmeier, H.
机构：
[1] Univ Kuopio, Dept Pharmaceut Chem, FIN-70211 Kuopio, Finland
[2] Univ Osnabruck, Inst Chem, D-49069 Osnabruck, Germany
来源：
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS | 2006年 / 62卷 / o659-o660期
关键词：
D O I：
10.1107/S0108270106037759
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
In the structure of the title compound, C11H13N5O4, the glycosidic torsion angle, (chi), is. 107.1 (2)degrees [nucleic acid nomenclature used throughout the manuscript; IUPAC-IUB Joint Commision on Biochemical Nomenclature (1983). Eur. J. Biochem. 131, 9-15], indicating the anti conformation. The furanosyl ring adopts an N-type sugar pucker with the following pseudorotational parameters: P-N = 50.5 (2)degrees and nu(max) = 34.9 (1)degrees. The conformation around the C5'-C6' bond is ap (gauche, trans; gt; -g), with a torsion angle gamma of 176.28 (19)degrees. The 1',2'-oxetane ring is not planar but folded along C3'(...)C1', with an angle of 9.6 (1)degrees.
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页码：O659 / O660
页数：2
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