Structure of Sulfated Monosaccharides Studied by Quantum Chemical Methods

Abstract

Ab initio and DFT analysis have been used to study of geometry of sulfated monosaccharides GlcN,6-SO3- and IdoA 2-SO3- in solvent. The computed low conformational barrier between the interconverting conformers of the IdoA 2-SO3- residue is in agreement with experimental data.

Keywords

• Sulfated monosaccharides
• structure
• ab initio
• DFT
• solvent