| CID | 82 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 532 |
| pubchem_cactvs_hbond_acceptor | 10 |
| pubchem_cactvs_hbond_donor | 5 |
| pubchem_cactvs_rotatable_bond | 6 |
| pubchem_cactvs_subskeys | AAADccBwPAIAAAAAAAAAAAAAAAAAAAAAAAAiAAAAAAAAAAAAAAAAGgAACCAADBSggAIACAAABxCIQiDSCIIACAAgAAAACAFAAEgBFBIAAQQCUAAFwAALEYPK7CTAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 5-(1-carboxyvinyloxy)-4-hydroxy-3-phosphonooxy-cyclohexene-1-carboxylic acid |
| pubchem_iupac_cas_name | 5-(1-carboxyvinyloxy)-4-hydroxy-3-phosphonooxy-1-cyclohexenecarboxylic acid |
| pubchem_iupac_systematic_name | 4-hydroxy-5-(3-hydroxy-3-oxo-prop-1-en-2-yl)oxy-3-phosphonooxy-cyclohexene-1-carboxylic acid |
| pubchem_iupac_traditional_name | 5-(1-carboxyvinyloxy)-4-hydroxy-3-phosphonooxy-cyclohexene-1-carboxylic acid |
| pubchem_nist_inchi | InChI=1S/C10H13O10P/c1-4(9(12)13)19-6-2-5(10(14)15)3-7(8(6)11)20-21(16,17)18/h3,6-8,11H,1-2H2,(H,12,13)(H,14,15)(H2,16,17,18) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 324.024633 |
| pubchem_molecular_formula | C10H13O10P |
| pubchem_molecular_weight | 324.177981 |
| pubchem_openeye_can_smiles | C=C(C(=O)O)OC1CC(=CC(C1O)OP(=O)(O)O)C(=O)O |
| pubchem_openeye_iso_smiles | C=C(C(=O)O)OC1CC(=CC(C1O)OP(=O)(O)O)C(=O)O |
| pubchem_cactvs_tpsa | 171 |
| pubchem_monoisotopic_weight | 324.024633 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 21 |
| 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 | 1 |
| pubchem_bondannotations | 13 2 3
14 3 3
12 4 3 |
