| CID | 81 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 348 |
| pubchem_cactvs_hbond_acceptor | 10 |
| pubchem_cactvs_hbond_donor | 6 |
| pubchem_cactvs_rotatable_bond | 8 |
| pubchem_cactvs_subskeys | AAADccBgPAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACCAACBSggAIACAAAAxAIQICQCIIAAAAAAAAAAAFAAAABEBYAAAAAQAAFIAABAAHK7CTAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 4,5,6-trihydroxy-2-oxo-7-phosphonooxy-heptanoic acid |
| pubchem_iupac_cas_name | 4,5,6-trihydroxy-2-oxo-7-phosphonooxyheptanoic acid |
| pubchem_iupac_systematic_name | 4,5,6-trihydroxy-2-oxo-7-phosphonooxy-heptanoic acid |
| pubchem_iupac_traditional_name | 4,5,6-trihydroxy-2-keto-7-phosphonooxy-enanthic acid |
| pubchem_nist_inchi | InChI=1S/C7H13O10P/c8-3(1-4(9)7(12)13)6(11)5(10)2-17-18(14,15)16/h3,5-6,8,10-11H,1-2H2,(H,12,13)(H2,14,15,16) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 288.024633 |
| pubchem_molecular_formula | C7H13O10P |
| pubchem_molecular_weight | 288.145881 |
| pubchem_openeye_can_smiles | C(C(C(C(COP(=O)(O)O)O)O)O)C(=O)C(=O)O |
| pubchem_openeye_iso_smiles | C(C(C(C(COP(=O)(O)O)O)O)O)C(=O)C(=O)O |
| pubchem_cactvs_tpsa | 182 |
| pubchem_monoisotopic_weight | 288.024633 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 18 |
| 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 | 2 |
| pubchem_bondannotations | 12 19 3
13 20 3
14 21 3 |
