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Home> Encyclopedia > Hot Product Listed 5   > 5'-Thymidylic acid, a,a,a-trifluoro- (9CI)
6338-43-8 structure

5'-Thymidylic acid, a,a,a-trifluoro- (9CI)

Iupac Name:oxolane-2,5-dicarboxylic acid
CAS No.:6338-43-8
EINECS(EC#): 281-742-4
Molecular Weight:160.12472
Molecular Formula:C14H16N2O2 (isomer)
Names and Identifiers
Synonyms

[(2r,3s,5r)-5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate [(2r,3s,5r)-5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate 1-(2-deoxy-5-o-phosphono-b-d-erythro-pentofuranosyl)-5-(trifluoromethyl)pyrimidine-2,4(1h,3h)-dione 5-(trifluoromethyl)-2'-deoxyuridine 5'-phosphoric acid 5-(trifluoromethyl)-dump 5-Trifluoromethyl-2'-deoxyuridine 5'-monophosphate 5-Trifluoromethyl-2'-deoxyuridine 5'-phosphate 5-trifluoromethyl-2'-deoxyuridylic acid AC1L4V1S AKOS030566983 alpha,alpha,alpha-trifluoro-5'-thymidylic acid alpha,alpha,alpha-trifluorothymidine monophosphate bdbm50010236 cf3dump chembl3144200 CTK4H2510 DTXSID80188052 NU007779 Uridine,2'-deoxy-5-(trifluoromethyl)-, 5'-(dihydrogen phosphate) (8CI) Uridine,2'-deoxy-5-(trifluoromethyl)-, 5'-phosphate (7CI) ZINC6090962

Inchi
InChI=1S/C6H8O5/c7-5(8)3-1-2-4(11-3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)
InChkey
CWZQRDJXBMLSTF-UHFFFAOYSA-N
Canonical Smiles
C1CC(OC1C(=O)O)C(=O)O
Properties
Density
1.64
Boiling Point
726.2°C at 760 mmHg
Refractive Index
1.531
Flash Point
71.6°C
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:160.12472g/mol
  • Molecular Formula:C14H16N2O2
  • Compound Is Canonicalized:True
  • Exact Mass:160.037
  • Monoisotopic Mass:160.037
  • Complexity:167
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:83.8A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBgOAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAIACAAABgAI AACQCAIAAAAAAAAAAAFAAAABABIAAAQCQAAEAAADAAGIbARAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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