2'-Deoxy-5-(Trifluoromethyl)Uridine 5'-(Dihydrogen Phosphate)

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Formula C10H12F3N2O8P
IUPAC Name [(2r,3s,5r)-5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 376.180 g·mol−1
Heat of Formation -2389.7 ± 16.7 kJ·mol−1
Dipole Moment 7.45 ± 1.08 D
Volume 347.55 Å 3
Surface Area 288.16 Å 2
HOMO Energy -10.14 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-deoxy-5-o-phosphono-b-d-erythro-pentofuranosyl)-5-(trifluoromethyl)pyrimidine-2,4(1h,3h)-dione
  • 5-(trifluoromethyl)-dump
  • 5-trifluoromethyl-2'-deoxyuridylic acid
  • [(2r,3s,5r)-5-[2,4-diketo-5-(trifluoromethyl)pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-[2,4-dioxo-5-(trifluoromethyl)-1-pyrimidinyl]-3-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-3-hydroxy-oxolan-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
  • [(2r,3s,5r)-5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • alpha,alpha,alpha-trifluoro-5'-thymidylic acid
CAS Number(s)
  • 345-02-8
InChIKey AOHHEIONYLEPLB-RRKCRQDMSA-N
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