A Proton Nuclear-Magnetic-Resonance Study of Self-Stacking in Purine and Pyrimidine Nucleosides and Nucleotides

Abstract
The concentration dependence of the chemical shifts of the protons H-2, H-8 and H-1′ of ATP4− and of Mg(ATP)2−, of all non-labile protons of adenosine, of H-5, H-6 and H-1′ of UTP, and of H-5, H-6, H-1′, and H-2′ of uridine have been measured. The results for the purine derivatives are consistent with the isodesmic model of indefinite non-cooperative stacking; for adenosine K= 15 ± 2 M−1, for ATP K= 1.3 ± 0.2 M−1 and for Mg(ATP)2−K= 3.6 ± 0.3 M−1. For the pyrimidines, uridine and UTP, stacking is much weaker and the stability constant could only be estimated; for uridine K⋜ 0.5 M−1, and for UTP K≈ 0.3 M−1.

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