Study of disaccharide conformation by one‐and two‐dimensional NMR spectroscopy: 1,6‐anhydro‐β‐maltose hexaacetate

One‐ and two‐dimensional NMR spectroscopy were employed to determine the conformation of 2,3,4,6,2′,3′‐hexa‐ O ‐acetyl‐4‐ O ‐α‐D‐glucopyranosyl‐1′,6′‐anhydro‐β‐D‐glucopyranose in acetone‐ d 6 solution. Inter‐residue interproton distances, H‐1–H‐4′ and H‐1–H‐3′, determined by 2D NOE experiments are commensurate with torsional angles ϕ and Ψ of −10° and −20°, and also of 10° and −30°, about the inter‐residue glucosidic bond. Computer simulation showed that, within the limits of the experimental error ( ca ±0.20 Å) of the interproton distances determined, several sets of ϕ and ψ angles are consistent with the NMR data. These ‘allowed’ conformations are presented in the form of a conformational map.