| CID | 68 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 356 |
| pubchem_cactvs_hbond_acceptor | 9 |
| pubchem_cactvs_hbond_donor | 4 |
| pubchem_cactvs_rotatable_bond | 1 |
| pubchem_cactvs_subskeys | AAADccBgPAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAASAAAAAAAAGgAACCAADFSggAICAAAAAxAAQAAAAIAAAAAAAAAAAAAAAAABEAAAAAAAQAAFAAABAABAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 4,6-dihydroxy-2-(hydroxymethyl)-2-methyl-4,6-dioxo-3,5,7-trioxa-4$l^{5},6$l^{5}-diphosphacyclooctan-1-ol |
| pubchem_iupac_cas_name | 4,6-dihydroxy-2-(hydroxymethyl)-2-methyl-4,6-dioxo-3,5,7-trioxa-4$l^{5},6$l^{5}-diphosphacyclooctan-1-ol |
| pubchem_iupac_systematic_name | 4,6-dihydroxy-2-(hydroxymethyl)-2-methyl-4,6-dioxo-3,5,7-trioxa-4$l^{5},6$l^{5}-diphosphacyclooctan-1-ol |
| pubchem_iupac_traditional_name | 4,6-dihydroxy-4,6-diketo-2-methyl-2-methylol-3,5,7-trioxa-4$l^{5},6$l^{5}-diphosphacyclooctan-1-ol |
| pubchem_nist_inchi | InChI=1S/C5H12O9P2/c1-5(3-6)4(7)2-12-15(8,9)14-16(10,11)13-5/h4,6-7H,2-3H2,1H3,(H,8,9)(H,10,11) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 277.995655 |
| pubchem_molecular_formula | C5H12O9P2 |
| pubchem_molecular_weight | 278.090902 |
| pubchem_openeye_can_smiles | CC1(C(COP(=O)(OP(=O)(O1)O)O)O)CO |
| pubchem_openeye_iso_smiles | CC1(C(COP(=O)(OP(=O)(O1)O)O)O)CO |
| pubchem_cactvs_tpsa | 143 |
| pubchem_monoisotopic_weight | 277.995655 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 16 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 2 |
| 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 16 3
13 5 3 |
