5-{(1E)-3-[(4-Azidobenzoyl)Amino]-1-Propen-1-Yl}-2'-Deoxyuridine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C19H23N6O15P3
IUPAC Name [[(2r,3s,5r)-5-[5-[(e)-3-[(4-azidobenzoyl)amino]prop-1-enyl]-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 668.338 g·mol−1
Heat of Formation -3227.5 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 670.27 Å 3
Surface Area 456.85 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -2.10 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(3-((4-azidobenzoyl)amino)-1-propenyl)-2'-deoxyuridine 5'-(tetrahydrogen triphosphate)
  • 5-(n-(4-azidobenzoyl)-3-aminoallyl)deoxyuridine 5'-monophosphate
  • [(2r,3s,5r)-5-[5-[(e)-3-[(4-azidobenzoyl)amino]prop-1-enyl]-2,4-diketo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-[5-[(e)-3-[(4-azidobenzoyl)amino]prop-1-enyl]-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-[5-[(e)-3-[(4-azidophenyl)carbonylamino]prop-1-enyl]-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-[5-[(e)-3-[[(4-azidophenyl)-oxomethyl]amino]prop-1-enyl]-2,4-dioxo-1-pyrimidinyl]-3-hydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • n3rd-ump
  • n3rdump
  • uridine 5'-(tetrahydrogen triphosphate), 5-(3-((4-azidobenzoyl)amino)-1-propenyl)-2'-deoxy-
CAS Number(s)
  • 129623-36-5
InChIKey FQCINQPNWBUIME-HRTYSXDVSA-N
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