Molecules 2000, 5(12), 1399-1407; doi:10.3390/51201399
Article

Substitution Effects on Reactivity of N-Acyl-2-amino-2-desoxyglucopyranoses. Quantum Chemical Study

1,* email, 1 and 2email
Received: 22 November 2000; Accepted: 28 November 2000 / Published: 21 December 2000
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
Abstract: Quantum mechanical calculations were carried out to study the molecular geometry and electronic structure of 2-amino-2-desoxyglucopyranose (AG) and the Nacetyl-, N-ethanoyl-, series of N-phthalimidoalkanoyl-AG. The total charge density, electrostatic potential, spatial distribution and positions of HOMO and LUMO of N-acyl-AGs with respect to their substitutes yield information on the reactivity of the molecules.
Keywords: N-Acyl-2-amino-2-desoxyglucopyranoses; quantum chemistry; reactivity
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MDPI and ACS Style

Vektariene, A.; Juodviršis, A.; Vektaris, G. Substitution Effects on Reactivity of N-Acyl-2-amino-2-desoxyglucopyranoses. Quantum Chemical Study. Molecules 2000, 5, 1399-1407.

AMA Style

Vektariene A, Juodviršis A, Vektaris G. Substitution Effects on Reactivity of N-Acyl-2-amino-2-desoxyglucopyranoses. Quantum Chemical Study. Molecules. 2000; 5(12):1399-1407.

Chicago/Turabian Style

Vektariene, Aušra; Juodviršis, Arvydas; Vektaris, Gytis. 2000. "Substitution Effects on Reactivity of N-Acyl-2-amino-2-desoxyglucopyranoses. Quantum Chemical Study." Molecules 5, no. 12: 1399-1407.

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