| CID | 61 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 311 |
| pubchem_cactvs_hbond_acceptor | 10 |
| pubchem_cactvs_hbond_donor | 5 |
| pubchem_cactvs_rotatable_bond | 6 |
| pubchem_cactvs_subskeys | AAADccBAPAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACCAACBSggAIACAAAAxAIQACQCIIAAAAAAAAAAAFAAAABAAQAAAAAQAABIAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 2,3-diphosphonooxypropanoic acid |
| pubchem_iupac_cas_name | 2,3-diphosphonooxypropanoic acid |
| pubchem_iupac_systematic_name | 2,3-diphosphonooxypropanoic acid |
| pubchem_iupac_traditional_name | 2,3-diphosphonooxypropionic acid |
| pubchem_nist_inchi | InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 265.959269 |
| pubchem_molecular_formula | C3H8O10P2 |
| pubchem_molecular_weight | 266.037142 |
| pubchem_openeye_can_smiles | C(C(C(=O)O)OP(=O)(O)O)OP(=O)(O)O |
| pubchem_openeye_iso_smiles | C(C(C(=O)O)OP(=O)(O)O)OP(=O)(O)O |
| pubchem_cactvs_tpsa | 171 |
| pubchem_monoisotopic_weight | 265.959269 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 15 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 1 |
| 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 | 1 |
| pubchem_bondannotations | 13 16 3 |
