Molecule ID: mol7515

SMILES: CC(=O)OC[C@H]1O[C@@H](Nc2nc(N(C)C)ncc2[N+](=O)[O-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

InChI: InChI=1S/C20H27N5O11/c1-9(26)32-8-14-15(33-10(2)27)16(34-11(3)28)17(35-12(4)29)19(36-14)22-18-13(25(30)31)7-21-20(23-18)24(5)6/h7,14-17,19H,8H2,1-6H3,(H,21,22,23)/t14-,15+,16+,17-,19-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization