Molecule ID: mol21639
SMILES: CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CCP(=O)(O)O)O[C@](O)(C(=O)O)C[C@@H]1O
InChI: InChI=1S/C12H22NO11P/c1-5(14)13-8-7(16)4-12(20,11(18)19)24-10(8)9(17)6(15)2-3-25(21,22)23/h6-10,15-17,20H,2-4H2,1H3,(H,13,14)(H,18,19)(H2,21,22,23)/t6-,7+,8-,9-,10-,12+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.50 | Baltruschat ChEMBL | -1 » -2 |