Structure of Sulfated Monosaccharides Studied by Quantum Chemical Methods

Ab initio and DFT analysis have been used to study of geometry of sulfated monosaccharides GlcN,6-SO(3)(-) and IdoA 2-SO(3)(-) in solvent. The computed low conformational barrier between the interconverting conformers of the IdoA 2-SO(3)(-) residue is in agreement with experimental data.

Detalles Bibliográficos
Autores principales: Scholtzová, Eva, Mach, Pavel, Hricovíni, Miloš
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2003
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6147085/
http://dx.doi.org/10.3390/81100770
Descripción
Sumario:Ab initio and DFT analysis have been used to study of geometry of sulfated monosaccharides GlcN,6-SO(3)(-) and IdoA 2-SO(3)(-) in solvent. The computed low conformational barrier between the interconverting conformers of the IdoA 2-SO(3)(-) residue is in agreement with experimental data.

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