19640 <common-name>Edelfosine</common-name> <description>Edelfosine belongs to the glycerophosphocholines, a subclass of glycerophospholipids within the organic compounds. It has the chemical formula C27H58NO6P. With an average molecular weight of 523.74 g/mol, Edelfosine is a heavy molecule. It is further classified as part of the lipids and lipid-like molecules superclass.</description> <cas>70641-51-9</cas> <pubchem-id>6918215</pubchem-id> <chemical-formula>C27H58NO6P</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">2016-05-22T05:19:03Z</created-at> <updated-at type="dateTime">2026-04-06T12:19:05Z</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 nil="true"/> <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@@](COCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC</moldb-smiles> <moldb-formula>C27H58NO6P</moldb-formula> <moldb-inchi>InChI=1S/C27H58NO6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-32-25-27(31-5)26-34-35(29,30)33-24-22-28(2,3)4/h27H,6-26H2,1-5H3/t27-/m1/s1</moldb-inchi> <moldb-inchikey>MHFRGQHAERHWKZ-HHHXNRCGSA-N</moldb-inchikey> <moldb-average-mass type="decimal">523.736</moldb-average-mass> <moldb-mono-mass type="decimal">523.40017559</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM018535</chemdb-id> <dsstox-id>DTXSID9045766</dsstox-id> <toxcast-id>45766</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00123442</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>77.05000000000001</moldb-polar-surface-area> <moldb-refractivity>156.4723</moldb-refractivity> <moldb-polarizability>65.41517790447752</moldb-polarizability> <moldb-rotatable-bond-count>27</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>1.8552582524511965</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-3.8471927890547977</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>3.37</moldb-alogps-logp> <moldb-alogps-logs>-6.57</moldb-alogps-logs> <moldb-alogps-solubility>1.55e-04 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Glycerophospholipids</klass> <subklass>Glycerophosphocholines</subklass> <paper-count type="integer">1047</paper-count> <sync-id>CED0008478</sync-id> <structure-inchikey>MHFRGQHAERHWKZ-HHHXNRCGSA-N</structure-inchikey> 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