Molecule ID: mol5537

SMILES: CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

InChI: InChI=1S/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H2,1H3/t4-,5+,6+,7+/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.17 IUPAC digitized pKa 1 » 0
9.39 IUPAC digitized pKa 1 » 0
9.60 OCHEM 1 » 0
9.62 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization