100068 <common-name>3,6,9,12-Tetraoxanonacosyl dihydrogen phosphate</common-name> <description>3,6,9,12-Tetraoxanonacosyl dihydrogen phosphate belongs to the phosphate esters, a subclass of organic phosphoric acids and derivatives within the organic compounds. It has the formula C25H53O8P. With an average molecular weight of 512.66 g/mol, 3,6,9,12-Tetraoxanonacosyl dihydrogen phosphate is a heavy molecule.</description> <cas>70198-18-4</cas> <pubchem-id>112379</pubchem-id> <chemical-formula>C25H53O8P</chemical-formula> <weight>512.7</weight> <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">2026-04-05T07:24:04Z</created-at> <updated-at type="dateTime">2026-08-31T04:55:08Z</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>CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOP(O)(O)=O</moldb-smiles> <moldb-formula>C25H53O8P</moldb-formula> <moldb-inchi>InChI=1/C25H53O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29-18-19-30-20-21-31-22-23-32-24-25-33-34(26,27)28/h2-25H2,1H3,(H2,26,27,28)</moldb-inchi> <moldb-inchikey>MPESRJWPJGWNME-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">512.665</moldb-average-mass> <moldb-mono-mass type="decimal">512.3478053</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.1</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>CHEM095961</chemdb-id> <dsstox-id>DTXSID7072040</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00063038</susdat-id> <iupac>2-[2-[2-(2-heptadecoxyethoxy)ethoxy]ethoxy]ethyl dihydrogen phosphate</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <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">0</paper-count> <sync-id>CED0179437</sync-id> <structure-inchikey>MPESRJWPJGWNME-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000010000000800000000000000000000000000080000000000000000000000003000000000000000000000000000000000000000000000002000000000000000000000000010000000000000020000000001100000000000000000000000020010000000000000000000000000000000000000000000000000000000000000060000000000000000000010000000000000000000000000040000000000000000004000000000000000000000000000008000000000000000000000000000000000000000000000000004000000000000000080000000000000000000000001000020000000000000000010000000000000000000080000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������"���!���€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`������� ������`�������`������� ������`�������`������� ������`�������`������� ������`�������`������� ������ ������`�������`�������(������������������������������� � � ������ � ������������������������������������������������������ ��!��B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:39:04Z</structure-indexed-at> </compound>