title: The conformation of the monomethyl ethers of methyl beta-lactoside in D2O and Me2SO-d6 solutions.
abstract: The solution conformations of all the possible monomethyl ethers of methyl beta-lactoside have been analysed using molecular mechanics and dynamics calculations and nuclear magnetic resonance data (variable temperature and NOE experiments). The overall shape of all the compounds studied is fairly similar and may be described by conformers included in a low-energy region with phi = -100 +/- 40 degrees and psi = -135 +/- 35 degrees, which is ca. 5% of the total potential energy surface for the glycosidic linkages of the disaccharides.
authors.affiliation: Grupo de Carbohidratos, Instituto de Química Orgánica General, Madrid, Spain.
authors.forename: P
authors.initials: P
authors.lastname: Fernández
authors.forename: J
authors.initials: J
authors.lastname: Jiménez-Barbero
mesh_terms: D002236:Carbohydrate Conformation; D002240:Carbohydrate Sequence; D017666:Deuterium Oxide; D004121:Dimethyl Sulfoxide; D004987:Ethers; D009682:Magnetic Resonance Spectroscopy / Q000379:methods; D008759:Methylglycosides / Q000737:chemistry*; D008958:Models, Molecular; D008969:Molecular Sequence Data; D012996:Solutions; D013329:Structure-Activity Relationship
chemical_list: D004987:Ethers; D008759:Methylglycosides; D012996:Solutions; C034207:methyl lactoside; D017666:Deuterium Oxide; D004121:Dimethyl Sulfoxide