CID | 9 |
pubchem_compound_canonicalized | 1 |
pubchem_cactvs_complexity | 274 |
pubchem_cactvs_hbond_acceptor | 9 |
pubchem_cactvs_hbond_donor | 7 |
pubchem_cactvs_rotatable_bond | 2 |
pubchem_cactvs_subskeys | AAADccBgPAIAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAGgAACCAACBSggAIAAAAAAxAAQAAAAIAAAAAAAAAAAAAAAAABEAIAAAAAQAAFAAABAAHAYAQAAAAAAAAAAAACAAAQAACAAAAAAAAAAA== |
pubchem_iupac_openeye_name | (2,3,4,5,6-pentahydroxycyclohexyl) dihydrogen phosphate |
pubchem_iupac_cas_name | (2,3,4,5,6-pentahydroxycyclohexyl) dihydrogen phosphate |
pubchem_iupac_systematic_name | (2,3,4,5,6-pentahydroxycyclohexyl) dihydrogen phosphate |
pubchem_iupac_traditional_name | (2,3,4,5,6-pentahydroxycyclohexyl) dihydrogen phosphate |
pubchem_nist_inchi | InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14) |
pubchem_cactvs_xlogp | 0 |
pubchem_exact_mass | 260.029719 |
pubchem_molecular_formula | C6H13O9P |
pubchem_molecular_weight | 260.135781 |
pubchem_openeye_can_smiles | C1(C(C(C(C(C1O)O)OP(=O)(O)O)O)O)O |
pubchem_openeye_iso_smiles | C1(C(C(C(C(C1O)O)OP(=O)(O)O)O)O)O |
pubchem_cactvs_tpsa | 168 |
pubchem_monoisotopic_weight | 260.029719 |
pubchem_total_charge | 0 |
pubchem_heavy_atom_count | 16 |
pubchem_atom_def_stereo_count | 0 |
pubchem_atom_udef_stereo_count | 4 |
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 | 12 18 3
13 19 3
14 20 3
15 21 3 |