5-{1,1,1,3,3,3-Hexafluoro-2-[(Trifluoroacetyl)Amino]-2-Propanyl}-1-(β-D-Ribofuranosyl)-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C14H12F9N3O6+
IUPAC Name n-[1-[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-5-yl]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-2,2,2-trifluoro-acetamide
Molecular Mass 489.247 g·mol−1
Heat of Formation -2868.5 ± 16.7 kJ·mol−1
Dipole Moment 3.50 ± 1.08 D
Volume 443.74 Å 3
Surface Area 348.69 Å 2
HOMO Energy -10.24 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxy-5-(2,2,2-trifluoro-1-((trifluoroacetyl)amino)-1-(trifluoromethyl)ethyl)uridine
  • 2'-deoxy-5-(2-trifluoroacetylaminohexafluoroprop-2-yl)uridine
  • 5-(2-trifluoroacetylaminohexafluoroprop-2-yl)-2'-deoxyuridine
  • 5-thfpdu
  • n-[1-[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-oxo-5-pyrimidinyl]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-2,2,2-trifluoroacetamide
  • n-[1-[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-5-yl]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-2,2,2-trifluoro-acetamide
  • n-[1-[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-2-keto-pyrimidin-5-yl]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-2,2,2-trifluoro-acetamide
  • n-[2-[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-pyrimidin-5-yl]-1,1,1,3,3,3-hexafluoro-propan-2-yl]-2,2,2-trifluoro-ethanamide
  • n-[2-[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,2,2-trifluoroacetamide
  • uridine, 2'-deoxy-5-(2,2,2-trifluoro-1-((trifluoroacetyl)amino)-1-(trifluoromethyl)ethyl)-
CAS Number(s)
  • 111712-56-2
InChIKey RCGPDURDMUIWBE-WCTZXXKLSA-N
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