5-{[2-(4-Azidophenyl)-2-Oxoethyl]Sulfanyl}Uridine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C17H20N5O16P3S
IUPAC Name [[(2r,3s,4r,5r)-5-[5-[2-(4-azidophenyl)-2-oxo-ethyl]sulfanyl-2,4-dioxo-pyrimidin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 675.351 g·mol−1
Heat of Formation -3406.8 ± 16.7 kJ·mol−1
Dipole Moment 7.72 ± 1.08 D
Volume 651.91 Å 3
Surface Area 439.19 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 1.14 ± eV
Point Group Symmetry C1
Synonyms
  • 5-((4-azidophenacyl)thio)uridine 5'-triphosphate
  • 5-apas-utp
  • [(2r,3s,4r,5r)-5-[5-[2-(4-azidophenyl)-2-oxo-ethyl]sulfanyl-2,4-dioxo-pyrimidin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-[5-[2-(4-azidophenyl)-2-oxo-ethyl]sulfanyl-2,4-dioxo-pyrimidin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-[5-[2-(4-azidophenyl)-2-oxoethyl]sulfanyl-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-[5-[[2-(4-azidophenyl)-2-keto-ethyl]thio]-2,4-diketo-pyrimidin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-[5-[[2-(4-azidophenyl)-2-oxoethyl]thio]-2,4-dioxo-1-pyrimidinyl]-3,4-dihydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • uridine 5'-(tetrahydrogen triphosphate), 5-((2-(4-azidophenyl)-2-oxoethyl)thio)-
CAS Number(s)
  • 120853-61-4
InChIKey CNPBIGGPYUIVDV-XKVFNRALSA-N
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