5-[(E)-2-(4-Azidophenyl)Vinyl]-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 C17H21N5O15P3
IUPAC Name [[(2r,3s,4s,5r)-5-[5-[(e)-2-(4-azidophenyl)vinyl]-2,4-dioxo-pyrimidin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 628.294 g·mol−1
Heat of Formation -3160.1 ± 16.7 kJ·mol−1
Dipole Moment 0.88 ± 1.08 D
Volume 614.43 Å 3
Surface Area 516.23 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -1.46 ± eV
Point Group Symmetry C1
Synonyms
  • 1-af-az utp
  • 1-arabinofuranosyl-5-(4-azidostyryl)uracil 5'-triphosphate
  • [(2r,3s,4s,5r)-5-[5-[(e)-2-(4-azidophenyl)ethenyl]-2,4-dioxo-pyrimidin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-5-[5-[(e)-2-(4-azidophenyl)ethenyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-5-[5-[(e)-2-(4-azidophenyl)vinyl]-2,4-diketo-pyrimidin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-5-[5-[(e)-2-(4-azidophenyl)vinyl]-2,4-dioxo-1-pyrimidinyl]-3,4-dihydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-5-[5-[(e)-2-(4-azidophenyl)vinyl]-2,4-dioxo-pyrimidin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
CAS Number(s)
  • 117591-28-3
InChIKey UQGWDDPSDAZCSA-ORCGDBKPSA-N
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