5-Ethyl-1-[5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-β-D-Arabinofuranosyl]-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C11H19N2O15P3
IUPAC Name [[(2r,3s,4s,5r)-5-(5-ethyl-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 512.194 g·mol−1
Heat of Formation -3667.3 ± 16.7 kJ·mol−1
Dipole Moment 5.32 ± 1.08 D
Volume 494.0 Å 3
Surface Area 367.66 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
Synonyms
  • 1-beta-arabinofuranosyl-5-ethyluracil 5'-triphosphate
  • 2,4(1h,3h)-pyrimidinedione, 5-ethyl-1-(5-o-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-d-arabinofuranosyl)-
  • [(2r,3s,4s,5r)-5-(5-ethyl-2,4-diketo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-5-(5-ethyl-2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-5-(5-ethyl-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-5-(5-ethyl-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • ara-eutp
CAS Number(s)
  • 69150-51-2
InChIKey OUVPELULKJELEV-BDNRQGISSA-N
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