5788 <common-name>ALPHA-TOCOPHEROL ACID SUCCINATE</common-name> <description nil="true"/> <cas>4345-03-3</cas> <pubchem-id>20353</pubchem-id> <chemical-formula>C33H54O5</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-05-19T01:53:37Z</created-at> <updated-at type="dateTime">2026-05-14T19:39:21Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id>DB14001</drugbank-id> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>[H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)CCC[C@]1(C)CCC2=C(C)C(OC(=O)CCC(O)=O)=C(C)C(C)=C2O1</moldb-smiles> <moldb-formula>C33H54O5</moldb-formula> <moldb-inchi>InChI=1S/C33H54O5/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-33(8)21-19-28-27(7)31(25(5)26(6)32(28)38-33)37-30(36)18-17-29(34)35/h22-24H,9-21H2,1-8H3,(H,34,35)/t23-,24-,33-/m1/s1</moldb-inchi> <moldb-inchikey>IELOKBJPULMYRW-NJQVLOCASA-N</moldb-inchikey> <moldb-average-mass type="decimal">530.79</moldb-average-mass> <moldb-mono-mass type="decimal">530.397124839</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>10.24</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM004683</chemdb-id> <dsstox-id>DTXSID2026151</dsstox-id> <toxcast-id>26151</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>4-oxo-4-{[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}butanoic acid</iupac> <moldb-polar-surface-area>72.83</moldb-polar-surface-area> <moldb-refractivity>155.41889999999998</moldb-refractivity> <moldb-polarizability>65.99399868129242</moldb-polarizability> <moldb-rotatable-bond-count>17</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>3.995219750428804</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.857008797012035</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>7.96</moldb-alogps-logp> <moldb-alogps-logs>-7.65</moldb-alogps-logs> <moldb-alogps-solubility>1.18e-05 g/l</moldb-alogps-solubility> </compound>