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. Author manuscript; available in PMC: 2022 Jun 8.
Published in final edited form as: Chem Rev. 2021 Dec 20;122(1):1–49. doi: 10.1021/acs.chemrev.1c00521

Table 17.

PCET Thermochemistry of Nucleosides in Watera

compound E∘’(RN•/RNH)b pKa(RNH•+) pKa(RNH) E∘ (V vs H2) BDFE
 guanosine   1.29345    3.9346  9.3345   1.70   92.1
 adenosine   1.42345    ≤1347  12.5345   1.83   95.1
 cytidine   1.6345    --  --   2.0   99
 thymidine   1.7345    --  --   2.1   101
a

Uncited values of E∘(V vs H2) were calculated from other values in the row using Scheme 2 or eq 18. BDFEs are in kcal mol−1 and if uncited were calculated from E∘(V vs H2) using eq 18.

b

E∘′ potentials are in V vs NHE at pH 7.