Conformational flexibility of the disaccharide β-<scp>l</scp>-Fuc<i>p</i>-(1→4)-α-<scp>d</scp>-Glc<i>p</i>-OMe as deduced from NMR spectroscopy experiments and computer simulations-Reference-Cited by-同舟云学术

Conformational flexibility of the disaccharide β-l-Fucp-(1→4)-α-d-Glcp-OMe as deduced from NMR spectroscopy experiments and computer simulations

Published:2023 Issue:34 Volume:21 Page:6979-6994
ISSN:1477-0520
Container-title:Organic & Biomolecular Chemistry
language:en
Short-container-title:Org. Biomol. Chem.

Author:

Plazinski Wojciech¹²^ORCID,Angles d'Ortoli Thibault³^ORCID,Widmalm Göran³^ORCID

Affiliation:

1. Jerzy Haber Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences, 30-239 Krakow, Poland

2. Department of Biopharmacy, Medical University of Lublin, 20-093 Lublin, Poland

3. Department of Organic Chemistry, Arrhenius Laboratory, Stockholm University, S-106 91 Stockholm, Sweden

Abstract

Quantum mechanics methodology was used to calculate solution-state NMR observables such as transglycosidic 3JCH coupling constants, and 1H and 13C NMR chemical shifts in excellent agreement with experimental data for a flexible disaccharide.

Funder

Vetenskapsrådet

Knut och Alice Wallenbergs Stiftelse

Narodowe Centrum Nauki

Publisher

Royal Society of Chemistry (RSC)

Subject

Organic Chemistry,Physical and Theoretical Chemistry,Biochemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/OB/D3OB01153D

Reference64 articles.

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5. Crystal structure of methyl α-L-rhamnopyranosyl-(1→2)-α-L-rhamnopyranoside monohydrate

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