45999 <common-name>borated lecithin</common-name> <description>Borated lecithin belongs to the glycerophosphocholines, a subclass of glycerophospholipids within the organic compounds. It has the chemical formula C52H80NO8P. With an average molecular weight of 878.17 g/mol, borated lecithin is a heavy molecule. It is further classified as part of the lipids and lipid-like molecules superclass.</description> <cas>99296-81-8</cas> <pubchem-id>24779134</pubchem-id> <chemical-formula>C52H80NO8P</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">2016-06-03T12:39:58Z</created-at> <updated-at type="dateTime">2026-03-26T21:31:55Z</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>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC</moldb-smiles> <moldb-formula>C52H80NO8P</moldb-formula> <moldb-inchi>InChI=1S/C52H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26-29,32-35,38-41,50H,6-7,12-13,18-19,24-25,30-31,36-37,42-49H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-,40-38-,41-39-/t50-/m1/s1</moldb-inchi> <moldb-inchikey>XLKQWAMTMYIQMG-SVUPRYTISA-N</moldb-inchikey> <moldb-average-mass type="decimal">878.1673</moldb-average-mass> <moldb-mono-mass type="decimal">877.562155053</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>24767409</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>CHEM044894</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00006948</stoff-ident-id> <susdat-id>NS00003672</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>111.19</moldb-polar-surface-area> <moldb-refractivity>284.47630000000004</moldb-refractivity> <moldb-polarizability>99.31767569359278</moldb-polarizability> <moldb-rotatable-bond-count>40</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>1.8550572063925514</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-6.747572467635045</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>5.61</moldb-alogps-logp> <moldb-alogps-logs>-7.25</moldb-alogps-logs> <moldb-alogps-solubility>5.27e-05 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">19</paper-count> <sync-id>CED0030377</sync-id> <structure-inchikey>XLKQWAMTMYIQMG-SVUPRYTISA-N</structure-inchikey> 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