Solution Conformation of Heparin Tetrasaccharide. DFT Analysis of Structure and Spin–Spin Coupling Constants

Solution Conformation of Heparin Tetrasaccharide. DFT Analysis of Structure and Spin–Spin Coupling Constants

Density functional theory (DFT) has provided detailed information on the molecular structure and spin⁻spin coupling constants of heparin tetrasaccharide (GlcNS,6S-IdoA2S-GlcNS,6S-IdoA2S-OMe) representing the predominant heparin repeating-sequence. The fully optimised molecular structures o...

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Bibliographic Details
Main Authors: Miloš Hricovíni, Michal Hricovíni
Format: Article
Language:English
Published: MDPI AG 2018-11-01
Series:Molecules
Subjects:
heparin tetrasaccharide
solution structure
NMR
DFT
spin-spin coupling constants
Online Access:https://www.mdpi.com/1420-3049/23/11/3042

Internet

https://www.mdpi.com/1420-3049/23/11/3042

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