Molecule ID: mol12047

SMILES: CCCCCCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O

InChI: InChI=1S/C15H24N2O6/c1-2-3-4-5-6-9-7-17(15(22)16-13(9)21)14-12(20)11(19)10(8-18)23-14/h7,10-12,14,18-20H,2-6,8H2,1H3,(H,16,21,22)/t10-,11-,12-,14-/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.76 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization