<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">351814</id>
  <title nil="true"/>
  <common-name>[(3r,4r,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2,4-dihydroxyoxolan-3-yl] hexadecanoate</common-name>
  <description>[(3r,4r,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2,4-dihydroxyoxolan-3-yl] hexadecanoate is a chemical compound with the formula C31H53N5O15P2. With an average molecular weight of 797.70 g/mol, [(3r,4r,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2,4-dihydroxyoxolan-3-yl] hexadecanoate is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>162640007</pubchem-id>
  <chemical-formula>C31H53N5O15P2</chemical-formula>
  <weight>797.7</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">2026-08-31T17:45:15Z</created-at>
  <updated-at type="dateTime">2026-08-31T17:45:15Z</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>CCCCCCCCCCCCCCCC(=O)OC1C(C(OC1O)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O)O</moldb-smiles>
  <moldb-formula>C31H53N5O15P2</moldb-formula>
  <moldb-inchi>InChI=1S/C31H53N5O15P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(37)50-27-25(39)21(49-31(27)41)17-47-53(44,45)51-52(42,43)46-16-20-24(38)26(40)30(48-20)36-19-35-23-28(32)33-18-34-29(23)36/h18-21,24-27,30-31,38-41H,2-17H2,1H3,(H,42,43)(H,44,45)(H2,32,33,34)/t20-,21-,24-,25-,26-,27-,30-,31?/m1/s1</moldb-inchi>
  <moldb-inchikey>KFLCWQDLOJLOAV-PPZPTHIZSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">797.30134</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.8</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>CHEM347707</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>[(3r,4r,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2,4-dihydroxyoxolan-3-yl] hexadecanoate</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>CED0302112</sync-id>
  <structure-inchikey>KFLCWQDLOJLOAV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>80000108000000000000000000000000000a00040000000000000000000020000000000000000000020000000000000801002000040024000000000000000000000c0010000200000000020800000200100000000000000100000000020012000000000000100000000000000000900000020000800000000180040000040000000011000000200810000001080000000000000000084401000000000000000000000000000082001000000000008085000000100000000000001000008080000000000000000000000000000008000080808000000000000000000200000020800000042000000010440000002000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������5���8���€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`�������`������� ������`�������`�������`������� ������ ������(�������`������� ������ ������(�������`������� ������`�������`�������`�������`�������`������� �����@(������@h�������@(������@(������@(������@(������@h�������@(������@(�������h��������`�������`�������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:49:42Z</structure-indexed-at>
</compound>
