Molecule ID: mol37347
SMILES: O=C1N[C](O)C=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O
InChI: InChI=1S/C9H15N2O12P2/c12-5-1-2-11(9(14)10-5)8-6(13)7(23-25(18,19)20)4(22-8)3-21-24(15,16)17/h1-2,4,6-8,12-13H,3H2,(H,10,14)(H2,15,16,17)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.50 | QSARToolbox | -4 » -5 |