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Conformational and dynamic investigation in solution of inosine and its molecular complex, inosiplex, by proton and carbon NMR spectroscopy
Author(s) -
Rossi Claudio,
Picchi Mariapia,
Tiezzi Enzo,
Corbini Gianfranco,
Corti Piero
Publication year - 1990
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260280413
Subject(s) - chemistry , inosine , conformational isomerism , molecule , nuclear magnetic resonance spectroscopy , nuclear magnetic resonance spectroscopy of nucleic acids , relaxation (psychology) , crystallography , stereochemistry , proton nmr , computational chemistry , transverse relaxation optimized spectroscopy , organic chemistry , fluorine 19 nmr , enzyme , social psychology , psychology
The conformational and dynamic properties of inosine and two other components of inosiplex (p‐acetamidobenzoic acid and dimethylaminoisopropanol) were analysed. For inosine, the most interesting molecule of the complex, the rotamer populations of all six allowed structures related to the N ⇌ S puckering and the 5′‐exocyclic conformation were calculated. Analysis of different NMR spectra and/or parameters, i.e. 2D‐NOE, saturation transfer, spinlattice relaxation rates and scalar coupling constants, suggests that a distribution of several inosine structures occurs in solution, with the inosine syn conformation predominating.