Determination of the molecular conformation of beta-D-O2,2'-cyclouridine in aqueous solution by proton magnetic resonance spectroscopy.

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AbstractThe solution conformation of β‐D‐O2,2′‐cyclouridine has been determined at 27 and 88°C in D2O by proton magnetic resonance spectroscopy. The conformation is described in terms of a fixed syn‐like sugar‐base torsional angle, a type S furanose ring conformation (similar to 2′‐endo), and a temperature‐dependent exocyclic C(4)′–C(5′) rotamer population containing approximately 50% of the gauche‐gauche form at 27°C. β‐D‐O2,2′‐Cyclouridine 5′‐phosphate likewise possesses a type S furanose ring conformation.