Molecule ID: mol11086
SMILES: O=C(O)CCC(C(=O)O)N(CC(=O)O)CC(=O)O
InChI: InChI=1S/C9H13NO8/c11-6(12)2-1-5(9(17)18)10(3-7(13)14)4-8(15)16/h5H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.10 | IUPAC digitized pKa | -1 » -2 |
| 2.70 | IUPAC digitized pKa | 0 » -1 |
| 4.80 | IUPAC digitized pKa | -2 » -3 |
| 9.66 | IUPAC digitized pKa | -3 » -4 |