Structural analysis of methyl 6-O-benzyl-2-deoxy-2-dimethylmaleimido- α-D-allopyranoside by X-ray crystallography, NMR, and QM calculations: Hydrogen bonding and comparison of density functionals

The crystal structure of methyl 6-O-benzyl-2-deoxy-2-dimethylmaleimido- α-d-allopyranoside was solved in order to gain insight into the hydrogen bond features which can be determining features in the glycosylation regioselectivity observed for this compound. An intramolecular hydrogen bond between t...

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Detalles Bibliográficos
Autores principales: Colombo, M.I., Rúveda, E.A., Gorlova, O., Lalancette, R., Stortz, C.A.
Formato: JOUR
Materias:
Allosamine
Conformation
Crystal structure
Density functional theory
N-Dimethylmaleloyl group
Bond distance
Carbonyl oxygen
Complex carbohydrates
Crystal geometry
Density functionals
Functionals
Gain insight
Hybrid method
Intermolecular hydrogen bonds
Intramolecular hydrogen bond
Optimized geometries
Quantum methods
Sugar moiety
Temperature shift
Torsion angle
Carbohydrates
Complexation
Conformations
Geometry
Optimization
Oxygen
X ray crystallography
Hydrogen bonds
6 o benzyl 2 deoxy 2 dimethylmaleimido alpha dextro allopyranoside
carbohydrate derivative
carbonyl derivative
dimethylmaleoyl
hydroxyl group
oxygen
sugar
unclassified drug
article
chemical structure
density functional theory
geometry
hydrogen bond
molecular model
priority journal
quantum mechanics
Crystallography, X-Ray
Glycosides
Hydrogen Bonding
Magnetic Resonance Spectroscopy
Molecular Structure
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00086215_v353_n_p79_Colombo
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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