Molecule ID: mol11403
SMILES: O=C(O)CSC(SCC(=O)O)C(SCC(=O)O)SCC(=O)O
InChI: InChI=1S/C10H14O8S4/c11-5(12)1-19-9(20-2-6(13)14)10(21-3-7(15)16)22-4-8(17)18/h9-10H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.89 | IUPAC digitized pKa | -1 » -2 |
| 3.24 | IUPAC digitized pKa | 0 » -1 |
| 3.54 | IUPAC digitized pKa | -2 » -3 |
| 3.56 | IUPAC digitized pKa | -2 » -3 |
| 3.96 | IUPAC digitized pKa | -2 » -3 |
| 3.99 | IUPAC digitized pKa | -2 » -3 |
| 4.93 | IUPAC digitized pKa | -2 » -3 |