Methyl [ 13C]glucopyranosiduronic acids: Effect of COOH ionization and exocyclic structure on NMR spin-couplings

Journal of Organic Chemistry

Volumn 77, Issue 21, 2012, Pages 9521-9534

  Zhang, Wenhui ^a   Hu, Xiaosong ^a   Carmichael, Ian ^b   Serianni, Anthony S ^a  

^a UNIVERSITY OF NOTRE DAME   (United States)

^b UNIVERSITY OF NOTRE DAME   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION BARRIERS; ANOMERS; BOND ROTATIONS; COOH GROUP; DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT CALCULATION; EXPERIMENTAL VALUES; INTRAMOLECULAR H-BONDING; MODEL COMPOUND; PROTONATED;

DENSITY FUNCTIONAL THEORY; IONIZATION; SUGARS;

COUPLINGS;

CARBOHYDRATE; GLUCURONIC ACID; METHYL ALPHA DEXTRO GLUCOPYRANOSIDEARBON C 13; METHYL ALPHA DEXTRO GLUCOPYRANOSIDURONIC ACID CARBON C 13; NUCLEAR MAGNETIC RESONANCE IMAGING AGENT; OXYGEN; UNCLASSIFIED DRUG; BICARBONATE; METHYLGLUCOSIDE;

ARTICLE; CARBON NUCLEAR MAGNETIC RESONANCE; CHEMICAL BOND; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; DRUG STRUCTURE; DRUG SYNTHESIS; HYDROGEN BOND; IONIZATION; PROTON NUCLEAR MAGNETIC RESONANCE; PROTON TRANSPORT; CHEMISTRY; CONFORMATION; ISOTOPE LABELING; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY; SOLUTION AND SOLUBILITY; THEORETICAL MODEL;

BICARBONATES; GLUCURONATES; ISOTOPE LABELING; MAGNETIC RESONANCE SPECTROSCOPY; METHYLGLUCOSIDES; MODELS, THEORETICAL; MOLECULAR CONFORMATION; QUANTUM THEORY; SOLUTIONS;

EID: 84868371339     PISSN: 00223263     EISSN: 15206904     Source Type: Journal    
DOI: 10.1021/jo3011182     Document Type: Article

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