title: X-ray crystallographic and high-resolution NMR spectroscopy characterization of 4,6-di-O-acetyl-2,3-dideoxy-alpha-D-erythro-hex-2-enopyranosyl sulfamide.
abstract: Single crystal X-ray diffraction and high-resolution (1)H and (13)C NMR spectral data for 4,6-di-O-acetyl-2,3-dideoxy-alpha-D-erythro-hex-2-enopyranosyl sulfamide, a selective inhibitor of carbonic anhydrase isozyme IX, are reported. The (0)H(5) was found to be the preferred form for this glycosyl sulfamide, both in the crystal lattice and in solution.
authors.affiliation: LADECOR, Departamento de Química, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, 47 y 115, 1900 La Plata, Argentina. pcolinas@quimica.unlp.edu.ar
authors.forename: Pedro A
authors.initials: PA
authors.lastname: Colinas
authors.forename: Rodolfo D
authors.initials: RD
authors.lastname: Bravo
authors.forename: Gustavo A
authors.initials: GA
authors.lastname: Echeverría
mesh_terms: D000606:Amino Sugars / Q000737:chemistry*; D002257:Carbonic Anhydrase Inhibitors / Q000737:chemistry*; D018360:Crystallography, X-Ray / Q000379:methods; D009682:Magnetic Resonance Spectroscopy / Q000379:methods; D008958:Models, Molecular; D008968:Molecular Conformation; D013449:Sulfonamides / Q000737:chemistry*
chemical_list: C547065:4,6-di-O-acetyl-2,3-dideoxyhex-2-enopyranosyl sulfamide; D000606:Amino Sugars; D002257:Carbonic Anhydrase Inhibitors; D013449:Sulfonamides