21262 <common-name>Sodium 4-hydroxybutanoate</common-name> <description nil="true"/> <cas>502-85-2</cas> <pubchem-id nil="true"/> <chemical-formula>C4H7NaO3</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">2016-05-22T06:51:23Z</created-at> <updated-at type="dateTime">2026-05-14T19:02:12Z</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>DB09072</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>[Na+].OCCCC([O-])=O</moldb-smiles> <moldb-formula>C4H7NaO3</moldb-formula> <moldb-inchi>InChI=1S/C4H8O3.Na/c5-3-1-2-4(6)7;/h5H,1-3H2,(H,6,7);/q;+1/p-1</moldb-inchi> <moldb-inchikey>XYGBKMMCQDZQOZ-UHFFFAOYSA-M</moldb-inchikey> <moldb-average-mass type="decimal">126.087</moldb-average-mass> <moldb-mono-mass type="decimal">126.02928837</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.51</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>CHEM020157</chemdb-id> <dsstox-id>DTXSID3048940</dsstox-id> <toxcast-id>48940</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00076278</susdat-id> <iupac>sodium 4-hydroxybutanoate</iupac> <moldb-polar-surface-area>60.36</moldb-polar-surface-area> <moldb-refractivity>34.6374</moldb-refractivity> <moldb-polarizability>9.740832431137218</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>4.440873954984472</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-2.3817124873466886</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>-0.34</moldb-alogps-logp> <moldb-alogps-logs>0.72</moldb-alogps-logs> <moldb-alogps-solubility>6.60e+02 g/l</moldb-alogps-solubility> </compound>