Molecular Modeling of Two Disaccharides Containing Fructopyranose Linked to Glucopyranose
- 1 June 1993
- journal article
- research article
- Published by Taylor & Francis in Journal of Carbohydrate Chemistry
- Vol. 12 (4-5) , 449-457
- https://doi.org/10.1080/07328309308019400
Abstract
Ramachandran energy surfaces for the disaccharides leucrose and turanose were computed using MM3. For each molecule, thirty-two combinations of hydroxyl and primary alcohol group orientations were considered. The calculations used a dielectric constant of 4.0 and the maps were generated on a 20° grid-spacing. The models compared well with the corresponding crystal structures except for significant deviations in some of the anomeric C-O bond lengths.Keywords
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