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
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.76 | QSARToolbox | 1 » 0 |