Quantum chemical calculation of the (S)-9-(2,3-dihydroxypropyl)adenine molecule. |
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| Authors: | Z Havlas, H Hrebabecký , J Ber nek |
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| Affiliation: | Z Havlas, H Hrebabecký, and J Beránek |
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| 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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