Molecule ID: mol8214

SMILES: CC(=O)C(O)[C@H]1O[C@@H](Oc2cnc3cnc(N)nc3n2)[C@@](O)(C(C)=O)[C@](O)(C(C)=O)[C@@]1(O)C(C)=O

InChI: InChI=1S/C20H23N5O10/c1-7(26)13(30)14-18(31,8(2)27)20(33,10(4)29)19(32,9(3)28)16(35-14)34-12-6-22-11-5-23-17(21)25-15(11)24-12/h5-6,13-14,16,30-33H,1-4H3,(H2,21,23,24,25)/t13?,14-,16-,18-,19+,20+/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.56 IUPAC digitized pKa 1 » 0
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Charge States and Microspecies Visualization