| CID | 50 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 201 |
| pubchem_cactvs_hbond_acceptor | 7 |
| pubchem_cactvs_hbond_donor | 5 |
| pubchem_cactvs_rotatable_bond | 5 |
| pubchem_cactvs_subskeys | AAADccBgOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAIACAAAAgAIAICQCAIAAAAAAAAAAAFAAAABEBYAAAAAQAAFIAABAAHKbARAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 3,4,5,6-tetrahydroxy-2-oxo-hexanoic acid |
| pubchem_iupac_cas_name | 3,4,5,6-tetrahydroxy-2-oxohexanoic acid |
| pubchem_iupac_systematic_name | 3,4,5,6-tetrahydroxy-2-oxo-hexanoic acid |
| pubchem_iupac_traditional_name | 3,4,5,6-tetrahydroxy-2-keto-hexanoic acid |
| pubchem_nist_inchi | InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 194.042653 |
| pubchem_molecular_formula | C6H10O7 |
| pubchem_molecular_weight | 194.1394 |
| pubchem_openeye_can_smiles | C(C(C(C(C(=O)C(=O)O)O)O)O)O |
| pubchem_openeye_iso_smiles | C(C(C(C(C(=O)C(=O)O)O)O)O)O |
| pubchem_cactvs_tpsa | 135 |
| pubchem_monoisotopic_weight | 194.042653 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 13 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 3 |
| pubchem_bond_def_stereo_count | 0 |
| pubchem_bond_udef_stereo_count | 0 |
| pubchem_isotopic_atom_count | 0 |
| pubchem_component_count | 1 |
| pubchem_cactvs_tauto_count | 41 |
| pubchem_bondannotations | 10 16 3
8 14 3
9 15 3 |
