<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">220827</id>
  <title nil="true"/>
  <common-name>2-aminoethyl [(2r)-3-[8-(4-pentacyclo[6.4.0.02,7.03,6.09,12]dodecanyl)octoxy]-2-[8-(10-tetracyclo[6.4.0.02,7.03,6]dodecanyl)octoxy]propyl] hydrogen phosphate</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>24779536</pubchem-id>
  <chemical-formula>C45H76NO6P</chemical-formula>
  <weight>758.1</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">2026-08-22T14:51:18Z</created-at>
  <updated-at type="dateTime">2026-08-22T14:51:18Z</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 nil="true"/>
  <moldb-formula>C45H76NO6P</moldb-formula>
  <moldb-inchi>InChI=1S/C45H76NO6P/c46-21-24-51-53(47,48)52-28-31(50-23-12-8-4-1-5-9-13-29-15-16-36-37(25-29)41-33-18-17-32(33)40(36)41)27-49-22-11-7-3-2-6-10-14-30-26-38-39(30)45-43-35-20-19-34(35)42(43)44(38)45/h29-45H,1-28,46H2,(H,47,48)/t29?,30?,31-,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?/m1/s1</moldb-inchi>
  <moldb-inchikey>SOXDEQCQOKITCK-BLJLBUSSSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">758.1</moldb-average-mass>
  <moldb-mono-mass type="decimal">757.5410261</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>8.8</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>CHEM216720</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-aminoethyl [(2R)-3-[8-(4-pentacyclo[6.4.0.02,7.03,6.09,12]dodecanyl)octoxy]-2-[8-(10-tetracyclo[6.4.0.02,7.03,6]dodecanyl)octoxy]propyl] hydrogen 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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
</compound>
