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. Author manuscript; available in PMC: 2022 Aug 9.
Published in final edited form as: Bioconjug Chem. 2022 Jun 7;33(6):1222–1231. doi: 10.1021/acs.bioconjchem.2c00190

Table 1.

Protonation Constants of Various Chelators and the Thermodynamic Stability Constants of Corresponding La3+ Complexes Determined by pH Potentiometry (25 °C and I = 0.1 M KCl).

H2macropa H2BZmacropa H2BZ2macropa H4DOTA H5DTPA H4EDTA
log K1 7.41(1)c 7.06(2) 6.89(7) 11.14d 10.45e 10.17e
log K2 6.85(1)c 6.41(1) 6.11(3) 9.69d 8.53e 6.11e
log K3 3.32(1)c 3.35(2) 3.36(3) 4.84d 4.28e 2.68e
log K4 2.36(1)c 2.41(9) 2.26(9) 3.95d 2.65e 2.00e
log K5 1.69(1)c - 1.82e 1.5e
log KLaL 14.99(2) c 13.99(5) 12.04(6) 21.7(1) d 19.48 e 15.46 e
log KLaHL 2.28(3) c - - 2.5(2) d - 2.24 e
log K´Laa 14.63 13.81 11.92 15.67 15.27 12.67
pLab 15.58 14.77 12.87 16.62 16.22 13.62
a

Conditional stability constants (log KM) at pH 7.4, 25 °C, and I = 0.1 M KCl

b

pM values calculated from −log [M]free ([M]total = 10−6 M, [L]total = 10−5 M, pH 7.4, 25 °C, and I = 0.1 M KCl)

c

0.1 M KCl, ref 21.

d

0.1 M KCl, ref 22.

e

0.1 M, ref 23.