Molecule ID: mol21638
SMILES: CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)COP(=O)(O)O)O[C@](O)(C(=O)O)C[C@@H]1O
InChI: InChI=1S/C11H20NO12P/c1-4(13)12-7-5(14)2-11(19,10(17)18)24-9(7)8(16)6(15)3-23-25(20,21)22/h5-9,14-16,19H,2-3H2,1H3,(H,12,13)(H,17,18)(H2,20,21,22)/t5-,6+,7+,8+,9+,11-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.60 | Baltruschat ChEMBL | -1 » -2 |