title: The crystal and molecular structure of 2-sulfamino-2-deoxy-alpha-D-glucopyranose sodium salt.2H2O (glucosamine 2-sulfate).
abstract: The crystal and molecular structure of 2-sulfamino-2-deoxy-alpha-D-glucopyranose has been determined by direct methods. The crystal belongs to the space group P2(1)2(1)2(1) and has unit cell dimensions a = 7.713 A, b = 9.390 A and c = 17.222 A. The sugar ring has the expected conformation (4C1) and the geometry of the N-sulfate moiety is comparable with that found in previous investigations of monosaccharide O-sulfates. The sodium ion is octahedrally coordinated involving one ring oxygen, two hydroxyls, one sulfate oxygen and two water oxygens.
authors.affiliation: Department of Biochemistry and Molecular Biology, University of Leeds, UK.
authors.forename: E A
authors.initials: EA
authors.lastname: Yates
authors.forename: W
authors.initials: W
authors.lastname: Mackie
authors.forename: D
authors.initials: D
authors.lastname: Lamba
mesh_terms: D002236:Carbohydrate Conformation; D018360:Crystallography, X-Ray; D005944:Glucosamine / Q000031:analogs & derivatives* / Q000737:chemistry; D006860:Hydrogen Bonding; D008958:Models, Molecular; D009005:Monosaccharides / Q000737:chemistry*; D013329:Structure-Activity Relationship; D013463:Sulfuric Acid Esters / Q000737:chemistry*
chemical_list: D009005:Monosaccharides; D013463:Sulfuric Acid Esters; C096190:glucosamine 2-sulfate; D005944:Glucosamine