Analysis of fructofuranose conformations by molecular mechanics
1990; Wiley; Volume: 29; Issue: 12-13 Linguagem: Inglês
10.1002/bip.360291210
ISSN1097-0282
Autores Tópico(s)Carbohydrate Chemistry and Synthesis
ResumoAbstract Energies for various envelope and twist conformers of α‐ and β‐ D ‐fructofuranose (FF) have been calculated with MMP2 (85). Values of low energy are found near T conformations, and, secondarily, to ranges near T shapes. α‐ D ‐FF has a path through the 0 E form for transitions between forms, as found by other workers for β‐ D ‐ribose, while the slightly preferred transition for β‐ D ‐FF is through the 0 E conformer. The majority of conformations of β‐ D ‐FF that have been determined by single‐crystal diffraction studies are in a fairly deep well, with energy values less than 0.5 kcal / mol above the minimum.
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