Molecule ID: mol8627
SMILES: CO[C@H]1O[C@H](CN)[C@@H](O)[C@H](N)[C@@H]1O
InChI: InChI=1S/C7H16N2O4/c1-12-7-6(11)4(9)5(10)3(2-8)13-7/h3-7,10-11H,2,8-9H2,1H3/t3-,4+,5-,6+,7+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.42 | IUPAC digitized pKa | 2 » 1 |
| 8.95 | IUPAC digitized pKa | 1 » 0 |