Molecule ID: mol9834
SMILES: O=C(COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O
InChI: InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5-,6-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.48 | QSARToolbox | 0 » -1 |
| 5.94 | IUPAC digitized pKa | -2 » -3 |
| 6.07 | IUPAC digitized pKa | -2 » -3 |
| 6.08 | IUPAC digitized pKa | -2 » -3 |
| 6.14 | IUPAC digitized pKa | -2 » -3 |
| 6.29 | QSARToolbox | -3 » -4 |
| 6.43 | IUPAC digitized pKa | -3 » -4 |
| 6.75 | IUPAC digitized pKa | -3 » -4 |
| 6.91 | IUPAC digitized pKa | -3 » -4 |
| 6.91 | IUPAC digitized pKa | -3 » -4 |
| 6.93 | IUPAC digitized pKa | -3 » -4 |
| 7.28 | IUPAC digitized pKa | -3 » -4 |