MolDB5R demo: details for selected entry

(2,3,4,5,6-pentahydroxycyclohexyl) dihydrogen phosphate (9)
hit structure

CID9
pubchem_compound_canonicalized1
pubchem_cactvs_complexity274
pubchem_cactvs_hbond_acceptor9
pubchem_cactvs_hbond_donor7
pubchem_cactvs_rotatable_bond2
pubchem_cactvs_subskeysAAADccBgPAIAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAGgAACCAACBSggAIAAAAAAxAAQAAAAIAAAAAAAAAAAAAAAAABEAIAAAAAQAAFAAABAAHAYAQAAAAAAAAAAAACAAAQAACAAAAAAAAAAA==
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_inchiInChI=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_xlogp0
pubchem_exact_mass260.029719
pubchem_molecular_formulaC6H13O9P
pubchem_molecular_weight260.135781
pubchem_openeye_can_smilesC1(C(C(C(C(C1O)O)OP(=O)(O)O)O)O)O
pubchem_openeye_iso_smilesC1(C(C(C(C(C1O)O)OP(=O)(O)O)O)O)O
pubchem_cactvs_tpsa168
pubchem_monoisotopic_weight260.029719
pubchem_total_charge0
pubchem_heavy_atom_count16
pubchem_atom_def_stereo_count0
pubchem_atom_udef_stereo_count4
pubchem_bond_def_stereo_count0
pubchem_bond_udef_stereo_count0
pubchem_isotopic_atom_count0
pubchem_component_count1
pubchem_cactvs_tauto_count1
pubchem_bondannotations
12  18  3
13  19  3
14  20  3
15  21  3