<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">345674</id>
  <title nil="true"/>
  <common-name>2-[hydroxy-[(2r)-2-hydroxy-3-[8-[(2s,3r)-3-octyloxiran-2-yl]octanoyloxy]propoxy]phosphoryl]oxyethyl-trimethylazanium</common-name>
  <description>2-[hydroxy-[(2r)-2-hydroxy-3-[8-[(2s,3r)-3-octyloxiran-2-yl]octanoyloxy]propoxy]phosphoryl]oxyethyl-trimethylazanium is a chemical compound with the formula C26H53NO8P+. With an average molecular weight of 538.70 g/mol, 2-[hydroxy-[(2r)-2-hydroxy-3-[8-[(2s,3r)-3-octyloxiran-2-yl]octanoyloxy]propoxy]phosphoryl]oxyethyl-trimethylazanium is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>121225539</pubchem-id>
  <chemical-formula>C26H53NO8P+</chemical-formula>
  <weight>538.7</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">2026-08-31T08:36:43Z</created-at>
  <updated-at type="dateTime">2026-08-31T08:36:43Z</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>CCCCCCCCC1C(O1)CCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O</moldb-smiles>
  <moldb-formula>C26H53NO8P+</moldb-formula>
  <moldb-inchi>InChI=1S/C26H52NO8P/c1-5-6-7-8-10-13-16-24-25(35-24)17-14-11-9-12-15-18-26(29)32-21-23(28)22-34-36(30,31)33-20-19-27(2,3)4/h23-25,28H,5-22H2,1-4H3/p+1/t23-,24-,25+/m1/s1</moldb-inchi>
  <moldb-inchikey>UURNKRUZAWHJOR-SDHSZQHLSA-O</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">538.3508797</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.7</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>CHEM341567</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>2-[hydroxy-[(2r)-2-hydroxy-3-[8-[(2s,3r)-3-octyloxiran-2-yl]octanoyloxy]propoxy]phosphoryl]oxyethyl-trimethylazanium</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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0296030</sync-id>
  <structure-inchikey>UURNKRUZAWHJOR-UHFFFAOYSA-O</structure-inchikey>
  <structure-fingerprint>40040000000000000000800000000200000010000000000080000000100000000000000002000001000200000000000000000002000000000000000002000000001000000000000010010000200008000020800004000100000000400000000000000020011000008000000000200000800040000000000000000800000000100020000040000000000000000000010000000000000020000000000000001000100000000000000000008000002001000000000008000000000000000000000000000048000000000000000000000000000000000000080000000000000000000004000000020000000000000000010440040000000000000000000000000200</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������$���$���€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`������� ������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`�������`������� ������ ������(�������`������� ������`�������`������ "�������`�������`�������`�������`�������������������������������	�	
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����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:44:39Z</structure-indexed-at>
</compound>
