| Formula | C5H13O7P |
| MW | 216.13 |
| InChIKey | XMWHRVNVKDKBRG-UHFFFAOYSA-N |
| pubchem_compound_cid | 31 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 201 |
| pubchem_cactvs_hbond_acceptor | 7 |
| pubchem_cactvs_hbond_donor | 5 |
| pubchem_cactvs_rotatable_bond | 5 |
| pubchem_cactvs_subskeys | AAADccBgOAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACCAADFSggAICAAAAAxAAQAAAAIAAAAAAAAAAAAAAAAABEAAAAAAAQAAFAAABAABAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | (2,3,4-trihydroxy-3-methyl-butyl) dihydrogen phosphate |
| pubchem_iupac_cas_name | (2,3,4-trihydroxy-3-methylbutyl) dihydrogen phosphate |
| pubchem_iupac_systematic_name | [3-methyl-2,3,4-tris(oxidanyl)butyl] dihydrogen phosphate |
| pubchem_iupac_traditional_name | (2,3,4-trihydroxy-3-methyl-butyl) dihydrogen phosphate |
| pubchem_iupac_inchi | InChI=1S/C5H13O7P/c1-5(8,3-6)4(7)2-12-13(9,10)11/h4,6-8H,2-3H2,1H3,(H2,9,10,11) |
| pubchem_iupac_inchikey | XMWHRVNVKDKBRG-UHFFFAOYSA-N |
| pubchem_xlogp3_aa | -3.3 |
| pubchem_exact_mass | 216.039889 |
| pubchem_molecular_formula | C5H13O7P |
| pubchem_molecular_weight | 216.126282 |
| pubchem_openeye_can_smiles | CC(CO)(C(COP(=O)(O)O)O)O |
| pubchem_openeye_iso_smiles | CC(CO)(C(COP(=O)(O)O)O)O |
| pubchem_cactvs_tpsa | 127 |
| pubchem_monoisotopic_weight | 216.039889 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 13 |
| 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_coordinate_type | 1 |
| pubchem_bondannotations | 10 14 3
9 11 3 |
| pubchem_xlogp3 | 0 |
