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- W4232113204 abstract "PCILO (perturbative configuration interaction using localized orbitals) computations have been carried out for the conformational properties of 8-azapurine nucleosides. The results indicate an anti conformation for χCN and a gg conformation for ФC(4′)–C(5′) for C(2′)-endo 8-aza analogs compared to the syn and gg conformation for the corresponding purine nucleosides. For C(3′)-endo sugar puckering, both molecules prefer the syn conformation due to intramolecular hydrogen bonding between O(5′)-H of the sugar and N(3) of the base, the preference being more profound in 8-aza analogs. The crystallographic conformation of 8-azaadenosine has been attributed to crystal forces. The available NMR data on 8-azapurine nucleosides are in agreement with the PCILO predictions." @default.
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- W4232113204 date "1978-01-01" @default.
- W4232113204 modified "2023-10-18" @default.
- W4232113204 title "Molecular orbital studies on the structure of nucleoside analogs I. Conformation of 8-azapurine nucleosides" @default.
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- W4232113204 doi "https://doi.org/10.1016/0005-2787(78)90053-9" @default.
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