Molecule ID: mol11484
SMILES: CC(C)(NCCOCCNC(C)(C)P(=O)(O)O)P(=O)(O)O
InChI: InChI=1S/C10H26N2O7P2/c1-9(2,20(13,14)15)11-5-7-19-8-6-12-10(3,4)21(16,17)18/h11-12H,5-8H2,1-4H3,(H2,13,14,15)(H2,16,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.11 | QSARToolbox | 0 » -1 |
| 5.11 | QSARToolbox | 0 » -1 |
| 5.16 | IUPAC digitized pKa | 0 » -1 |
| 6.45 | IUPAC digitized pKa | -1 » -2 |
| 10.67 | IUPAC digitized pKa | -2 » -3 |
| 11.61 | IUPAC digitized pKa | -2 » -3 |