6954 <common-name>N-GLUCONYL ETHANOLAMINE PHOSPHATE</common-name> <description>N-GLUCONYL ETHANOLAMINE PHOSPHATE (C8H18NO10P) is an organic compound with an average molecular weight of 319.20 g/mol. N-GLUCONYL ETHANOLAMINE PHOSPHATE belongs to the phosphate esters, a subclass of organic phosphoric acids and derivatives within the organic compounds. In industrial applications, this compound is utilized as a nutrient and a flavouring agent.</description> <cas>874113-45-8</cas> <pubchem-id nil="true"/> <chemical-formula>C8H18NO10P</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">2016-05-19T02:07:08Z</created-at> <updated-at type="dateTime">2026-04-06T11:58:04Z</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>OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)NCCOP(O)(O)=O</moldb-smiles> <moldb-formula>C8H18NO10P</moldb-formula> <moldb-inchi>InChI=1S/C8H18NO10P/c10-3-4(11)5(12)6(13)7(14)8(15)9-1-2-19-20(16,17)18/h4-7,10-14H,1-3H2,(H,9,15)(H2,16,17,18)/t4-,5+,6+,7-/m1/s1</moldb-inchi> <moldb-inchikey>JNXDTQSHHDGYGF-JRTVQGFMSA-N</moldb-inchikey> <moldb-average-mass type="decimal">319.203</moldb-average-mass> <moldb-mono-mass type="decimal">319.066832313</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>CHEM005849</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00122590</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>197.01</moldb-polar-surface-area> <moldb-refractivity>62.1551</moldb-refractivity> <moldb-polarizability>27.47089552374542</moldb-polarizability> <moldb-rotatable-bond-count>9</moldb-rotatable-bond-count> <moldb-acceptor-count>9</moldb-acceptor-count> <moldb-donor-count>8</moldb-donor-count> <moldb-pka-strongest-acidic>1.5349871633248897</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-2.9742205204364245</moldb-pka-strongest-basic> <moldb-physiological-charge>-2</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>-2.40</moldb-alogps-logp> <moldb-alogps-logs>-1.41</moldb-alogps-logs> <moldb-alogps-solubility>1.25e+01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Organic phosphoric acids and derivatives</klass> <subklass>Phosphate esters</subklass> <paper-count type="integer">1</paper-count> <sync-id>CED0039684</sync-id> <structure-inchikey>JNXDTQSHHDGYGF-JRTVQGFMSA-N</structure-inchikey> 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</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:37Z</structure-indexed-at> </compound>