<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">294332</id>
  <title nil="true"/>
  <common-name>2-[[[(2s,5r)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium</common-name>
  <description>2-[[[(2s,5r)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium is a compound with the formula C14H27N4O9P2+. It has an average molecular weight of 457.33 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>54138046</pubchem-id>
  <chemical-formula>C14H27N4O9P2+</chemical-formula>
  <weight>457.33</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">2026-08-28T09:56:05Z</created-at>
  <updated-at type="dateTime">2026-08-28T09:56:05Z</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>C[N+](C)(C)CCOP(=O)(O)OP(=O)(O)OCC1CCC(O1)N2C=CC(=NC2=O)N</moldb-smiles>
  <moldb-formula>C14H27N4O9P2+</moldb-formula>
  <moldb-inchi>InChI=1S/C14H26N4O9P2/c1-18(2,3)8-9-24-28(20,21)27-29(22,23)25-10-11-4-5-13(26-11)17-7-6-12(15)16-14(17)19/h6-7,11,13H,4-5,8-10H2,1-3H3,(H3-,15,16,19,20,21,22,23)/p+1/t11-,13+/m0/s1</moldb-inchi>
  <moldb-inchikey>NZCQWOIOZLKJHJ-WCQYABFASA-O</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">457.1253275</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-3.8</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>CHEM290225</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-[[[(2s,5r)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]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>CED0245812</sync-id>
  <structure-inchikey>NZCQWOIOZLKJHJ-UHFFFAOYSA-O</structure-inchikey>
  <structure-fingerprint>80400000000080200008000000004000000000000000000800000000000000040000000000000210000000000000020000000020080008000000000060000000000000000000000500000020000080000208000000001000000000000000000000000000120000000000000000000008000c0020100000000000800000000180020000040000000000400000000800000001000000000000000000000000000000000000004800000008000080100000000000000004000000000000000200000000000000000000000000000000000000000000000080008000200000000000080000000020001000040010000000040000000800000000000000000000020</structure-fingerprint>
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  <structure-pickle>ï¾­Þ������������������������€���`������ "�������`�������`�������`�������`������� ������ ������(�������`������� ������ ������(�������`������� ������`�������`�������`�������`�������`������� �����@(������@h�������@h�������@(������@(������@(�������(�������h���������������������������������	��
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����������������������������������h���h���h���h���h���(��� �����h�B���������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:05:57Z</structure-indexed-at>
</compound>
