Molecule ID: mol37177

SMILES: O=P(O)(O)OC1[C@H](OP(=O)(O)O)CCC[C@H]1OP(=O)(O)O

InChI: InChI=1S/C6H15O12P3/c7-19(8,9)16-4-2-1-3-5(17-20(10,11)12)6(4)18-21(13,14)15/h4-6H,1-3H2,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)/t4-,5-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.91 QSARToolbox -4 » -5
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization