Molecule ID: mol7516

SMILES: CC(=O)OC[C@H]1O[C@@H](Nc2nc(N(C)C)ncc2N)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

InChI: InChI=1S/C20H29N5O9/c1-9(26)30-8-14-15(31-10(2)27)16(32-11(3)28)17(33-12(4)29)19(34-14)23-18-13(21)7-22-20(24-18)25(5)6/h7,14-17,19H,8,21H2,1-6H3,(H,22,23,24)/t14-,15-,16+,17-,19-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization