O²,1^′-Anhydro-(β -D-Psicofuranosyl)Thymine and 1-(1^′,4^′-O-Anhydro-β -D-Psicofuranosyl)Thymine: The Crystal Structures Versus the ¹H NMR and AB Initio Data

Abstract

The crystal structures of the title compounds 1 and 2 have been determined. Relation between the stereochemistry of both nucleosides in the crystal state and the ¹H NMR data in solution as well as the ab initio calculations is discussed.

Keywords:

• Anhydro psicofuranosyl nucleosides
• pyrimidine
• x-ray analysis
• conformation
• ¹H NMR spectroscopy

Acknowledgments

The study at the University of Kuopio was supported by the Technology Development Center of Finland (TEKES, Finland). JR and IAM are indebted to Professor Alex Azhayev for his interest in this study.