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

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Properties Simple | Detailed

Formula C9H14N5O14P3
IUPAC Name [[(2r,3s,5s)-5-(5-azido-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 509.154 g·mol−1
Heat of Formation -3152.6 ± 16.7 kJ·mol−1
Dipole Moment 10.73 ± 1.08 D
Volume 474.36 Å 3
Surface Area 397.91 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -1.95 ± eV
Point Group Symmetry C1
Synonyms
  • 5-azido-2'-deoxyuridine 5'-triphosphate
  • 5-n3dutp
  • [(2r,3s,5s)-5-(5-azido-2,4-diketo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5s)-5-(5-azido-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5s)-5-(5-azido-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5s)-5-(5-azido-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5s)-5-(5-azido-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • uridine 5'-(tetrahydrogen triphosphate), 5-azido-2'-deoxy-
CAS Number(s)
  • 105449-09-0
InChIKey YTBBHULLYXWWIB-XVMARJQXSA-N
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