| CID | 40 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 128 |
| pubchem_cactvs_hbond_acceptor | 5 |
| pubchem_cactvs_hbond_donor | 4 |
| pubchem_cactvs_rotatable_bond | 1 |
| pubchem_cactvs_subskeys | AAADccBgOAAAAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAGgAACAAACBSwgAMACAAABgAAAAAAAAAAAAAAAAAAAAAAAAAREAIAAAACQAAFAAAHAAHAYAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 6-(hydroxymethyl)tetrahydropyran-2,4,5-triol |
| pubchem_iupac_cas_name | 6-(hydroxymethyl)tetrahydropyran-2,4,5-triol |
| pubchem_iupac_systematic_name | 6-(hydroxymethyl)oxane-2,4,5-triol |
| pubchem_iupac_traditional_name | 6-methyloltetrahydropyran-2,4,5-triol |
| pubchem_nist_inchi | InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2 |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 164.068473 |
| pubchem_molecular_formula | C6H12O5 |
| pubchem_molecular_weight | 164.15648 |
| pubchem_openeye_can_smiles | C1C(C(C(OC1O)CO)O)O |
| pubchem_openeye_iso_smiles | C1C(C(C(OC1O)CO)O)O |
| pubchem_cactvs_tpsa | 90.2 |
| pubchem_monoisotopic_weight | 164.068473 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 11 |
| 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 | 10 17 3
6 12 3
7 13 3
8 14 3 |
