36285 <common-name>Thymidine 5'-triphosphate</common-name> <description nil="true"/> <cas>365-08-2</cas> <pubchem-id>64968</pubchem-id> <chemical-formula>C10H17N2O14P3</chemical-formula> <weight nil="true"/> <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">2016-05-26T05:33:16Z</created-at> <updated-at type="dateTime">2026-05-14T17:38:22Z</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>DB02452</drugbank-id> <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>CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O</moldb-smiles> <moldb-formula>C10H17N2O14P3</moldb-formula> <moldb-inchi>InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1</moldb-inchi> <moldb-inchikey>NHVNXKFIZYSCEB-XLPZGREQSA-N</moldb-inchikey> <moldb-average-mass type="decimal">482.1683</moldb-average-mass> <moldb-mono-mass type="decimal">481.989262798</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-2.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>58493</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 nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM035180</chemdb-id> <dsstox-id>DTXSID30189998</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00015086</susdat-id> <iupac>{[hydroxy({[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy})phosphoryl]oxy}phosphonic acid</iupac> <moldb-polar-surface-area>238.68999999999994</moldb-polar-surface-area> <moldb-refractivity>88.03069999999998</moldb-refractivity> <moldb-polarizability>36.59837789743729</moldb-polarizability> <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count> <moldb-acceptor-count>11</moldb-acceptor-count> <moldb-donor-count>6</moldb-donor-count> <moldb-pka-strongest-acidic>0.8952835615680885</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-3.24034425909658</moldb-pka-strongest-basic> <moldb-physiological-charge>-3</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>-0.39</moldb-alogps-logp> <moldb-alogps-logs>-1.70</moldb-alogps-logs> <moldb-alogps-solubility>9.52e+00 g/l</moldb-alogps-solubility> </compound>