Molecule ID: mol20569
SMILES: Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CC(=O)c2ccccc2O)[C@@H](O)[C@H]1O
InChI: InChI=1S/C18H20N5O8P/c19-16-13-17(21-7-20-16)23(8-22-13)18-15(27)14(26)12(31-18)5-30-32(28,29)6-11(25)9-3-1-2-4-10(9)24/h1-4,7-8,12,14-15,18,24,26-27H,5-6H2,(H,28,29)(H2,19,20,21)/t12-,14-,15-,18-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.00 | Baltruschat ChEMBL | 1 » 0 |