Abstract
The relative free energies of the aldopyranoses in aqueous solution have been calculated, taking non-bonded interaction energies and the anomeric effect into account. It is shown that the calculated free-energy values correctly predict the predominant conformation of the α- and β-pyranose forms of each aldose. The α- to β-pyranose ratios of the aldoses in aqueous solution, calculated from these values, are in reasonable agreement with those determined experimentally.
Dates
Type | When |
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Created | 14 years, 11 months ago (Sept. 1, 2010, 11:46 p.m.) |
Deposited | 6 years, 9 months ago (Nov. 21, 2018, 12:59 a.m.) |
Indexed | 1 month ago (July 23, 2025, 8:40 a.m.) |
Issued | 57 years, 7 months ago (Jan. 1, 1968) |
Published | 57 years, 7 months ago (Jan. 1, 1968) |
Published Print | 57 years, 7 months ago (Jan. 1, 1968) |
@article{Angyal_1968, title={Conformational analysis in carbohydrate chemistry. I. Conformational free energies. The conformations and α : β ratios of aldopyranoses in aqueous solution}, volume={21}, ISSN={0004-9425}, url={http://dx.doi.org/10.1071/ch9682737}, DOI={10.1071/ch9682737}, number={11}, journal={Australian Journal of Chemistry}, publisher={CSIRO Publishing}, author={Angyal, SJ}, year={1968}, pages={2737} }