<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4486</id>
  <title>T3D4432</title>
  <common-name>Thymidine</common-name>
  <description>Thymidine is non-toxic and is a naturally occurring compound that exists in all living organisms and DNA viruses. 25% of DNA is composed of thymidine. RNA does not have thymidine and has uridine instead. Thymidine is a chemical compound which is a pyrimidine nucleoside. Thymidine is the DNA base T, which pairs with adenosine in double stranded DNA.</description>
  <cas>50-89-5</cas>
  <pubchem-id>5789</pubchem-id>
  <chemical-formula>C10H14N2O5</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point>185°C (365°F)</melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility>73.5 mg/mL</solubility>
  <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>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>This is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T06:51:15Z</created-at>
  <updated-at type="dateTime">2026-05-14T18:08:35Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>Thymidine</wikipedia>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C00214</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>17748</chebi-id>
  <biocyc-id>THYMIDINE</biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id>DB04485</drugbank-id>
  <pdb-id>THM</pdb-id>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O</moldb-smiles>
  <moldb-formula>C10H14N2O5</moldb-formula>
  <moldb-inchi>InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1</moldb-inchi>
  <moldb-inchikey>IQFYYKKMVGJFEH-XLPZGREQSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">242.2286</moldb-average-mass>
  <moldb-mono-mass type="decimal">242.090271568</moldb-mono-mass>
  <origin>Endogenous</origin>
  <state>Solid</state>
  <logp>-0.93</logp>
  <hmdb-id>HMDB00273</hmdb-id>
  <chembl-id>CHEMBL52609</chembl-id>
  <chemspider-id>5585</chemspider-id>
  <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>&lt;p&gt;Jeffrey D. Wilson, &amp;#8220;Preparation of 3&amp;#8217;azido-3-&amp;#8217;-deoxythymidine.&amp;#8221; U.S. Patent US4921950, issued October, 1986.&lt;/p&gt;</synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003392</chemdb-id>
  <dsstox-id>DTXSID5023661</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00068173</susdat-id>
  <iupac>1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione</iupac>
  <moldb-polar-surface-area>99.1</moldb-polar-surface-area>
  <moldb-refractivity>55.412000000000006</moldb-refractivity>
  <moldb-polarizability>23.060984366910677</moldb-polarizability>
  <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count>
  <moldb-acceptor-count>5</moldb-acceptor-count>
  <moldb-donor-count>3</moldb-donor-count>
  <moldb-pka-strongest-acidic>9.960276156373078</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-2.9780835894464888</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>2</moldb-number-of-rings>
  <moldb-alogps-logp>-1.32</moldb-alogps-logp>
  <moldb-alogps-logs>-0.56</moldb-alogps-logs>
  <moldb-alogps-solubility>6.68e+01 g/l</moldb-alogps-solubility>
</compound>
