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

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Properties Simple | Detailed

Formula C10H16NO15P3
IUPAC Name [[(2r,3s,4r,5s)-5-(2,4-dioxo-1-pyridyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 483.153 g·mol−1
Heat of Formation -3580.7 ± 16.7 kJ·mol−1
Dipole Moment 9.18 ± 1.08 D
Volume 444.42 Å 3
Surface Area 375.23 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -2.04 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4(1h,3h)-pyridinedione, 1-(5-o-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-d-ribofuranosyl)-
  • 3-deaza-utp
  • 3-deazauridine 5'-triphosphate
  • [(2r,3s,4r,5s)-5-(2,4-diketo-1-pyridyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5s)-5-(2,4-dioxo-1-pyridyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5s)-5-(2,4-dioxo-1-pyridyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5s)-5-(2,4-dioxopyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5s)-5-(2,4-dioxopyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
CAS Number(s)
  • 54267-16-2
InChIKey IKUDFCHDBYVXHZ-QQRDMOCMSA-N
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