Molecule ID: mol29025
SMILES: N[C@H]1C(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6?/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.98 | AttenGpKa training set | 0 » -1 |
| 8.06 | AttenGpKa training set | -1 » -2 |