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

Abstract

In the structure of the title compound, C12H18N2O7, the furanosyl ring adopts the S-type sugar pucker with the following pseudorotational parameters: PS = 159.6° (C2′-endo according to the designation of the ribofuranose ring of natural nucleosides; C3′-endo according to the numbering of the title compound) and νmax = 35.9°. The conformation around the C5′—C6′ bond is ap (gauche–trans; gt; −g), with a torsion angle γ of −170.3 (2)°. The structure of the thymine base is very similar to that of thymidine. There are intermolecular N—H...O and O—H...O hydrogen bonds.