Molecule ID: mol20469

SMILES: O=C1OC(C(O)CO)C(OCCCCC(CO[N+](=O)[O-])O[N+](=O)[O-])=C1O

InChI: InChI=1S/C12H18N2O12/c15-5-8(16)10-11(9(17)12(18)25-10)23-4-2-1-3-7(26-14(21)22)6-24-13(19)20/h7-8,10,15-17H,1-6H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.64 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization