2'-Deoxy-5'-O-[(R)-Hydroxy{[(S)-Hydroxy(Phosphonooxy)Phosphoryl]Amino}Phosphoryl]Uridine

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Properties Simple | Detailed

Formula C9H16N3O13P3
IUPAC Name [(2r,3s,5r)-5-(2,4-dioxo-5h-pyrimidin-1-ium-5-id-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-n-[hydroxy(phosphonooxy)phosphoryl]phosphonamidic acid
Molecular Mass 467.157 g·mol−1
Heat of Formation -3169.5 ± 16.7 kJ·mol−1
Dipole Moment 7.32 ± 1.08 D
Volume 443.02 Å 3
Surface Area 378.18 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxyuridine 5'-alpha,beta-imido-triphosphate
  • [(2r,3s,5r)-5-(2,4-diketopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-n-(hydroxy-phosphonooxy-phosphoryl)phosphonamidic acid
  • [(2r,3s,5r)-5-(2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methoxy-n-(hydroxy-phosphonooxyphosphoryl)phosphonamidic acid
  • [(2r,3s,5r)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methoxy-n-(hydroxy-phosphonooxy-phosphoryl)phosphonamidic acid
  • [(2r,3s,5r)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-n-(hydroxy-phosphonooxy-phosphoryl)phosphonamidic acid
  • dup
  • upr
InChIKey XZLLMTSKYYYJLH-SHYZEUOFSA-N
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