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Dependence on saccharide conformation of the one-bond and three-bond carbonproton coupling constants

✍ Scribed by Igor Tvaroška

Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
676 KB
Volume
206
Category
Article
ISSN
0008-6215

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✦ Synopsis

A theoretical study is presented of the dependence on conformation of 'Jc-and 'Jc,a values in model compounds related to glycosides. Calculated J values for dimethoxymethane and 2-methoxytetrahydropyran are based on the FPT formulation in the semiempirical INDO method. The configuration at the anomeric carbon affects the 'Jc-a value, and the '&a and 3Jc,H values vary characteristically with dihedral angle about the carbon-oxygen bond. The agreement of the calculated and experimental values is satisfactory, especially for the 3Jc.H values.

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