Molecule ID: mol37341

SMILES: O=P(O)(O)O[C@H]1[C@@H](O)[C@H](O)C(F)(F)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O

InChI: InChI=1S/C6H13F2O14P3/c7-6(8)4(10)1(9)2(20-23(11,12)13)3(21-24(14,15)16)5(6)22-25(17,18)19/h1-5,9-10H,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)/t1-,2+,3+,4+,5-/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.05 QSARToolbox -3 » -4
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization