Structure of Sulfated Monosaccharides Studied by Quantum Chemical Methods

doi:10.3390/81100770

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

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Structure of Sulfated Monosaccharides Studied by Quantum Chemical Methods

Eva Scholtzová^1,* , Pavel Mach¹ and Miloš Hricovíni²

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; in revised form: 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

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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.

AMA Style

Scholtzová E, Mach P, Hricovíni M. Structure of Sulfated Monosaccharides Studied by Quantum Chemical Methods. Molecules. 2003; 8(11):770-779.

Chicago/Turabian Style

Scholtzová, Eva; Mach, Pavel; Hricovíni, Miloš. 2003. "Structure of Sulfated Monosaccharides Studied by Quantum Chemical Methods." Molecules 8, no. 11: 770-779.

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