Molecule ID: mol34943
SMILES: CC1=CN([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C(=O)N[C]1O
InChI: InChI=1S/C10H16N2O9P/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(21-9)3-20-22(17,18)19/h2,5-7,9,13-15H,3H2,1H3,(H,11,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.30 | QSARToolbox | -2 » -3 |