| CID | 97 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 418 |
| pubchem_cactvs_hbond_acceptor | 11 |
| pubchem_cactvs_hbond_donor | 7 |
| pubchem_cactvs_rotatable_bond | 4 |
| pubchem_cactvs_subskeys | AAADceBwPAAAAAAAAAAAAAAAAAAAAAAAAAAkSAAAAAAAAAAAAAAAGgAACAAACBSwgAMACAAABgAIAIAQAAIAAAAAAAAAAAFAAAAREBYAAAAiQAAFIAAHAAHCYAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 3,5-dihydroxy-2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-4-one |
| pubchem_iupac_cas_name | 3,5-dihydroxy-2-(hydroxymethyl)-6-[[4,5,6-trihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]-4-tetrahydropyranone |
| pubchem_iupac_systematic_name | 3,5-dihydroxy-2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-oxan-4-one |
| pubchem_iupac_traditional_name | 3,5-dihydroxy-2-methylol-6-(4,5,6-trihydroxy-2-methylol-tetrahydropyran-3-yl)oxy-tetrahydropyran-4-one |
| pubchem_nist_inchi | InChI=1S/C12H20O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-5,7-15,17-20H,1-2H2 |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 340.100561 |
| pubchem_molecular_formula | C12H20O11 |
| pubchem_molecular_weight | 340.2806 |
| pubchem_openeye_can_smiles | C(C1C(C(C(C(O1)O)O)O)OC2C(C(=O)C(C(O2)CO)O)O)O |
| pubchem_openeye_iso_smiles | C(C1C(C(C(C(O1)O)O)O)OC2C(C(=O)C(C(O2)CO)O)O)O |
| pubchem_cactvs_tpsa | 186 |
| pubchem_monoisotopic_weight | 340.100561 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 23 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 9 |
| 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 | 7 |
| pubchem_bondannotations | 12 24 3
13 25 3
14 26 3
15 27 3
16 28 3
17 29 3
18 30 3
19 31 3
21 34 3 |
