Prototropic molecular-zwitterion tautomerism of xanthine: AMI calculation
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چکیده
منابع مشابه
Experimental and theoretical study of enol-keto prototropic tautomerism and photophysics of azomethine-BODIPY dyads.
In this study we report about two novel azomethine–BODIPY dyads 1 and 2. The two dyads have been, respectively, synthesized by covalent tethering of tautomeric ortho-hydroxy aromatic azomethine moieties including N-salicylideneaniline (SA) and N-naphthlideneaniline (NA) to a BODIPY fluorophore. Both of the two dyads 1 and 2 show enol-imine (OH) structures dominating in the crystalline state. Dy...
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NMR methods have been applied to evaluation of prototropic tautomerism, N (1)H ^ N (3) H. in several selected pyrimidines, viz. the neutral forms of isocytosine and 2-alkylthiopyrimidone-4, and the monoanionic forms of uracil, 5-fluorouracil and 4-thiouracil. The predominant tautomeric species of the neutral forms could be estimated only qualitatively from chemical shifts. For the monoanionic f...
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High-level quantum-chemical and quantum-dynamics calculations are reported on the tautomerization equilibria and rate constants of isolated and monohydrated cytosine and guanine molecules. The results are used to estimate the fraction of the bases present in the cell during DNA synthesis as the unwanted tautomers that forms irregular base pairs, thus giving rise to a spontaneous GC→AT point mut...
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We have isolated the stable as well as the metastable tautomers of 1-deazapurine in the solid state by exploiting principles of supramolecular selectivity in the context of cocrystal design.
متن کاملDerivatives of the Triaminoguanidinium Ion, 2. Prototropic Tautomerism, Crystal and Molecular Structure of N,N,N-Tris(propan-2-iminyl)guanidine [1, 2]
Dedicated to Professor Gerhard Müller on the occasion of his 60th birthday The title compound, C10H20N6 (2), was prepared from N,N′,N′′-triaminoguanidinium chloride. Solventand temperature-dependent 1H NMR spectra indicating prototropic tautomerism were observed in solution. The crystal and molecular structure was determined by X-ray diffraction analysis. The compound crystallizes in the hexago...
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ژورنال
عنوان ژورنال: Biopolymers and Cell
سال: 1994
ISSN: 0233-7657,1993-6842
DOI: 10.7124/bc.0003c3