Molecule ID: mol29947
SMILES: CCOP(=O)(O)O[C@H]1C[C@H](N2C=NC3C(N)=NC=NC32)O[C@@H]1CO
InChI: InChI=1S/C12H20N5O6P/c1-2-21-24(19,20)23-7-3-9(22-8(7)4-18)17-6-16-10-11(13)14-5-15-12(10)17/h5-10,12,18H,2-4H2,1H3,(H,19,20)(H2,13,14,15)/t7-,8+,9+,10?,12?/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.35 | AttenGpKa training set | 2 » 1 |