Molecule ID: mol37624

SMILES: NC1=N[C@]23C(O)[C@]4(O)O[C@H]([C@@H]2[C@@H](O)N1)C(O)(CO)[C@@H](O4)[C@H]3O

InChI: InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3-,4-,5+,6-,7?,9?,10-,11+/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.76 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization