Methyl 1-deoxy-1-(N-1-thyminyl)-beta-D-psicofuranoside

Autor(en): Roivainen, Jarkko
Reuter, Hans 
Mikhailopulo, Igor A.
Eickmeier, Henning
Stichwörter: CIRCULAR DICHROISM; Crystallography; DERIVATIVES; NUCLEOSIDES; THYMIDINE
Erscheinungsdatum: 2007
Herausgeber: BLACKWELL PUBLISHING
Journal: ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE
Volumen: 63
Ausgabe: 11
Startseite: O4294-U3155
Zusammenfassung: 
In the structure of the title compound, C12H18N2O7, the furanosyl ring adopts the S- type sugar pucker with the following pseudorotational parameters: P-S=159.6 degrees (C2 `-endo according to the designation of the ribofuranose ring of natural nucleosides; C3 `-endo according to the numbering of the title compound) and nu(max) = 35.9 degrees. The conformation around the C5 `-C6 ` bond is ap (gauche - trans; gt; -g), with a torsion angle gamma of -170.3 (2)degrees. The structure of the thymine base is very similar to that of thymidine. There are intermolecular N - H center dot center dot center dot O and O - H center dot center dot center dot O hydrogen bonds.
ISSN: 16005368
DOI: 10.1107/S1600536807048866

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