5-Azido-1-[5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-α-D-Ribofuranosyl]-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C9H14N5O15P3
IUPAC Name [[(2r,3s,4r,5s)-5-(5-azido-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 525.153 g·mol−1
Heat of Formation -3304.7 ± 16.7 kJ·mol−1
Dipole Moment 5.95 ± 1.08 D
Volume 484.84 Å 3
Surface Area 389.39 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -1.73 ± eV
Point Group Symmetry C1
Synonyms
  • 5-a-utp
  • 5-azidouridine-5'-triphosphate
  • [(2r,3s,4r,5s)-5-(5-azido-2,4-diketo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5s)-5-(5-azido-2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5s)-5-(5-azido-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5s)-5-(5-azido-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5s)-5-(5-azido-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • uridine, 5'-(tetrahydrogen triphosphate), 5-azido-
CAS Number(s)
  • 105518-68-1
InChIKey DYVGSULTDVJPTN-UNGCPHIMSA-N
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