20378 <common-name>1,2-Ditetradecanoyl-rac-glycerol-3-phosphocholine</common-name> <description nil="true"/> <cas>18656-38-7</cas> <pubchem-id>26197</pubchem-id> <chemical-formula>C36H72NO8P</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">2016-05-22T05:58:25Z</created-at> <updated-at type="dateTime">2026-05-14T19:08:27Z</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>DB11283</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>CCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC</moldb-smiles> <moldb-formula>C36H72NO8P</moldb-formula> <moldb-inchi>InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3</moldb-inchi> <moldb-inchikey>CITHEXJVPOWHKC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">677.945</moldb-average-mass> <moldb-mono-mass type="decimal">677.49955528</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.34</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>24408</chemspider-id> <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>CHEM019273</chemdb-id> <dsstox-id>DTXSID4046816</dsstox-id> <toxcast-id>46816</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>(2-{[2,3-bis(tetradecanoyloxy)propyl phosphono]oxy}ethyl)trimethylazanium</iupac> <moldb-polar-surface-area>111.19000000000001</moldb-polar-surface-area> <moldb-refractivity>197.46110000000004</moldb-refractivity> <moldb-polarizability>82.66114859172724</moldb-polarizability> <moldb-rotatable-bond-count>36</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>1.8550572064469137</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-6.744159309169687</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>4.57</moldb-alogps-logp> <moldb-alogps-logs>-7.26</moldb-alogps-logs> <moldb-alogps-solubility>4.03e-05 g/l</moldb-alogps-solubility> </compound>