5-(2-Amino-1,1,1,3,3,3-Hexafluoro-2-Propanyl)-2'-Deoxyuridine

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Properties Simple | Detailed

Formula C12H13F6N3O5++
IUPAC Name 5-[1-amino-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
Molecular Mass 393.239 g·mol−1
Heat of Formation -2175.7 ± 16.7 kJ·mol−1
Dipole Moment 6.76 ± 1.08 D
Volume 373.86 Å 3
Surface Area 304.02 Å 2
HOMO Energy -10.43 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxy-5-(2-aminohexafluoroprop-2-yl)uridine
  • 5-(1-amino-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-2'-deoxyuridine
  • 5-(2-amino-1,1,1,3,3,3-hexafluoro-propan-2-yl)-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
  • 5-(2-amino-1,1,1,3,3,3-hexafluoropropan-2-yl)-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
  • 5-(2-aminohexafluoroprop-2-yl)-2'-deoxyuridine
  • 5-[1-amino-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione
  • 5-[1-amino-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
  • 5-[1-amino-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone
  • 5-ahfpdu
  • uridine, 5-(1-amino-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-2'-deoxy-
CAS Number(s)
  • 111712-54-0
InChIKey NTLDPLRNCGRVMU-RRKCRQDMSA-N
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