In order to determine the effect of the choice of potential function used in the conformational analysis of a carbohydrate, the NMR spectrum of methyl beta-xylobioside [beta-D-Xyl-(1-->4)-beta-D-Xyl-(1-->O)-Me] was interpreted using calculated J13C-H coupling constants and nuclear Overhauser effects
Nuclear overhauser effects and the flexibility of saccharides: methyl β-xylobioside
✍ Scribed by Miloš Hricovíni; Igor Tvaroška; Ján Hirsch; Anthony J. Duben
- Publisher
- Elsevier Science
- Year
- 1991
- Tongue
- English
- Weight
- 480 KB
- Volume
- 210
- Category
- Article
- ISSN
- 0008-6215
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✦ Synopsis
The behavior of methyl beta-xylobioside has been analysed by 1H-n.m.r. spectroscopy for solutions in water and methanol in the range - 15 degrees to 85 degrees. Experimental n.O.e. values did not change with temperature and solvent in contrast to the inter-glycosidic 3JC,H values. Experimental n.O.e. data accorded with the values calculated from time-averaged cross-relaxation terms. The tumbling times were determined from relaxation data and were in the sub-ns range.
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