Molecule ID: mol37342

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

InChI: InChI=1S/C6H15O15P3/c7-1-2(8)4(19-22(10,11)12)6(21-24(16,17)18)5(3(1)9)20-23(13,14)15/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2-,3+,4-,5-,6-/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.61 QSARToolbox -3 » -4
7.08 QSARToolbox -5 » -6
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization