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Molecules 2003, 8(11), 770-779; doi:10.3390/81100770
Article

Structure of Sulfated Monosaccharides Studied by Quantum Chemical Methods

1,* , 1 and 2
1 Institute of Inorganic Chemistry of Slovak Academy of Sciences, Dúbravská cesta 9, Bratislava, Slovak Republic 2 Chemical Institute of Slovak Academy of Sciences, Dúbravská cesta 9, Bratislava, Slovak Republic
* Author to whom correspondence should be addressed.
Received: 21 May 2003 / Revised: 15 October 2003 / Accepted: 20 October 2003 / Published: 15 November 2003
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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 Sulfated monosaccharides; structure; ab initio; DFT; solvent
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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MDPI and ACS Style

Scholtzová, E.; Mach, P.; Hricovíni, M. Structure of Sulfated Monosaccharides Studied by Quantum Chemical Methods. Molecules 2003, 8, 770-779.

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