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. 1980 Dec 20;8(24):6233–6238. doi: 10.1093/nar/8.24.6233

Quantum chemical calculation of the (S)-9-(2,3-dihydroxypropyl)adenine molecule.

Z Havlas, H Hrebabecký, J Beránek
PMCID: PMC328085  PMID: 6780982

Abstract

Quantum chemical calculations of conformational maps of the molecule of a new virostatic agent (S)-9-(2,3-dihydroxypropyl)adenine were performed. The thermodynamically most advantageous conformation I corresponds, for the D-series, to the alpha-ribo configuration, while the following minima, which are close in energy (II,III), correspond to beta-ribo and beta-xylo configurations.

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Selected References

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