Molecule ID: mol9115
SMILES: O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O
InChI: InChI=1S/C3H12NO9P3/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.90 | IUPAC digitized pKa | -1 » -2 |
| 2.00 | IUPAC digitized pKa | 0 » -1 |
| 4.60 | IUPAC digitized pKa | -2 » -3 |
| 5.92 | IUPAC digitized pKa | -4 » -5 |
| 7.35 | IUPAC digitized pKa | -3 » -4 |
| 10.90 | IUPAC digitized pKa | -5 » -6 |