Molecule ID: mol8913
SMILES: O=P(O)(O)CP(=O)(O)O
InChI: InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.70 | IUPAC digitized pKa | 0 » -1 |
| 1.70 | QSARToolbox | 0 » -1 |
| 2.00 | OCHEM | 0 » -1 |
| 2.00 | OCHEM | 0 » -1 |
| 2.00 | QSARToolbox | 0 » -1 |
| 2.00 | QSARToolbox | 0 » -1 |
| 2.00 | AttenGpKa training set | 0 » -1 |
| 2.30 | OCHEM | 0 » -1 |
| 2.30 | OCHEM | 0 » -1 |
| 2.49 | IUPAC digitized pKa | -1 » -2 |
| 2.49 | QSARToolbox | 0 » -1 |
| 2.50 | QSARToolbox | 0 » -1 |
| 2.57 | QSARToolbox | -1 » -2 |
| 2.57 | AttenGpKa training set | -1 » -2 |
| 2.75 | IUPAC digitized pKa | -1 » -2 |
| 2.87 | IUPAC digitized pKa | -1 » -2 |
| 3.05 | IUPAC digitized pKa | -1 » -2 |
| 3.08 | IUPAC digitized pKa | -1 » -2 |
| 3.50 | QSARToolbox | -1 » -2 |
| 6.87 | QSARToolbox | -2 » -3 |
| 6.87 | QSARToolbox | -2 » -3 |
| 6.87 | IUPAC digitized pKa | -2 » -3 |
| 6.87 | IUPAC digitized pKa | -2 » -3 |
| 6.87 | AttenGpKa training set | -2 » -3 |
| 7.33 | IUPAC digitized pKa | -2 » -3 |
| 7.35 | IUPAC digitized pKa | -2 » -3 |
| 7.40 | OCHEM | -2 » -3 |
| 7.40 | OCHEM | -2 » -3 |
| 7.45 | QSARToolbox | -2 » -3 |
| 7.45 | IUPAC digitized pKa | -2 » -3 |
| 7.57 | IUPAC digitized pKa | -2 » -3 |
| 10.33 | IUPAC digitized pKa | -3 » -4 |
| 10.33 | AttenGpKa training set | -3 » -4 |
| 10.42 | IUPAC digitized pKa | -3 » -4 |
| 10.47 | IUPAC digitized pKa | -3 » -4 |
| 10.54 | IUPAC digitized pKa | -3 » -4 |
| 10.69 | IUPAC digitized pKa | -3 » -4 |
| 10.96 | IUPAC digitized pKa | -3 » -4 |