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Analysis of fructofuranose conformations by molecular mechanics
Author(s) -
French Alfred D.,
Tran Vinh
Publication year - 1990
Publication title -
biopolymers
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.556
H-Index - 125
eISSN - 1097-0282
pISSN - 0006-3525
DOI - 10.1002/bip.360291210
Subject(s) - conformational isomerism , chemistry , envelope (radar) , crystallography , twist , diffraction , molecule , physics , geometry , organic chemistry , optics , telecommunications , radar , mathematics , computer science
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 4 3 T conformations, and, secondarily, to ranges near 4 3 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.