5-Butyl-1-[5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-β-D-Arabinofuranosyl]-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C12H20N2O15P3
IUPAC Name [[[(2r,3s,4s,5r)-5-(2,4-dioxo-5-propyl-pyrimidin-3-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate
Molecular Mass 525.213 g·mol−1
Heat of Formation -3731.7 ± 16.7 kJ·mol−1
Dipole Moment 6.27 ± 1.08 D
Volume 527.81 Å 3
Surface Area 449.14 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy 1.59 ± eV
Point Group Symmetry C1
Synonyms
  • 1-beta-arabinofuranosyl-5-butyluracil-5'-triphosphate
  • 2,4(1h,3h)-pyrimidinedione, 5-butyl-1-(5-o-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-d-arabinofuranosyl)-
  • [(2r,3s,4s,5r)-5-(5-butyl-2,4-diketo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-5-(5-butyl-2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-5-(5-butyl-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-5-(5-butyl-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-5-(5-butyl-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • ara-butp
CAS Number(s)
  • 78524-95-5
InChIKey SGQOYOKALDBANZ-MWGHHZFTSA-N
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