Molecule ID: mol2545
SMILES: O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
InChI: InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.57 | IUPAC digitized pKa | 0 » -1 |
| 3.97 | QSARToolbox | 0 » -1 |
| 4.00 | QSARToolbox | 0 » -1 |
| 4.04 | IUPAC digitized pKa | 0 » -1 |
| 4.04 | IUPAC digitized pKa | 0 » -1 |
| 4.10 | QSARToolbox | 0 » -1 |
| 4.10 | QSARToolbox | 0 » -1 |
| 4.13 | OCHEM | 0 » -1 |
| 4.13 | OCHEM | 0 » -1 |
| 4.17 | OCHEM | 0 » -1 |
| 4.17 | Hunt | 0 » -1 |
| 4.17 | Hunt | 0 » -1 |
| 4.17 | QSARToolbox | 0 » -1 |
| 4.20 | QSARToolbox | 0 » -1 |
| 4.20 | QSARToolbox | 0 » -1 |
| 4.21 | QSARToolbox | 0 » -1 |
| 4.21 | QSARToolbox | 0 » -1 |
| 4.49 | IUPAC digitized pKa | 0 » -1 |
| 4.56 | IUPAC digitized pKa | 0 » -1 |
| 11.34 | IUPAC digitized pKa | -2 » -3 |
| 11.34 | IUPAC digitized pKa | -2 » -3 |
| 11.39 | OCHEM | -2 » -3 |
| 11.39 | OCHEM | -2 » -3 |
| 11.47 | QSARToolbox | -2 » -3 |
| 11.56 | QSARToolbox | -2 » -3 |
| 11.57 | QSARToolbox | -2 » -3 |
| 11.57 | OCHEM | -2 » -3 |
| 11.57 | Hunt | -2 » -3 |
| 11.57 | Hunt | -2 » -3 |
| 11.79 | QSARToolbox | -2 » -3 |
| 11.82 | QSARToolbox | -2 » -3 |
| 11.98 | IUPAC digitized pKa | -2 » -3 |
| 12.22 | IUPAC digitized pKa | -2 » -3 |
| 12.72 | IUPAC digitized pKa | -3 » -4 |