Molecule ID: mol29607

SMILES: CO[C@@H]1OC(C(=O)O)[C@@H](OC)[C@H](O)C1O

InChI: InChI=1S/C8H14O7/c1-13-5-3(9)4(10)8(14-2)15-6(5)7(11)12/h3-6,8-10H,1-2H3,(H,11,12)/t3-,4?,5+,6?,8-/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.95 AttenGpKa training set 0 » -1
13.30 AttenGpKa training set -1 » -2
15.00 AttenGpKa training set -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization