Methyl 1-deoxy-1-(N-1-thyminyl)-beta-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: 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.