Molecule ID: mol8215

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

InChI: InChI=1S/C22H27N5O10/c1-9(28)15(32)16-20(33,10(2)29)22(35,12(4)31)21(34,11(3)30)18(37-16)36-14-8-23-13-7-24-19(27(5)6)26-17(13)25-14/h7-8,15-16,18,32-35H,1-6H3/t15?,16-,18-,20-,21+,22+/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.81 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization