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. 2024 Apr 5;128(15):3621–3630. doi: 10.1021/acs.jpcb.4c01033

Table 2. pKa Values (Standard Deviation Values in Parentheses) of the Adenine Derivative (ASCH3).

no. equilibrium model equilibrium expression pKa value
1 H2(ASCH3)2+ = H++ H(ASCH3)+ Ka1 = [H+][H(ASCH3)+]/ H2(ASCH3))2+] 4.53 (0.10)
2 H(ASCH3)+ = H+ + (ASCH3) Ka2 = [H+][(ASCH3)]/[H(ASCH3)+] 8.83 (0.09)
3 H2O = H+ + OH KH2O = [H+][OH] 14.00 (const.)