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

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Properties Simple | Detailed

Formula C10H17N2O15P3
IUPAC Name [[(2r,3s,4s,5r)-3,4-dihydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 498.168 g·mol−1
Heat of Formation -3653.5 ± 16.7 kJ·mol−1
Dipole Moment 5.28 ± 1.08 D
Volume 465.92 Å 3
Surface Area 361.21 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy -1.65 ± eV
Point Group Symmetry C1
Synonyms
  • 1-beta.-d-(arabinofuranosyl)thymine, 5'-triphosphate
  • 1beta-d-arabinofuranosylthymine 5'-triphosphate
  • 2,4(1h,3h)-pyrimidinedione, 1-(5-o-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-d-arabinofuranosyl)-5-methyl-
  • 2,4(1h,3h)-pyrimidinedione, 1-[5-o-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-b-d-arabinofuranosyl]-5-methyl-
  • [(2r,3s,4s,5r)-3,4-dihydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-3,4-dihydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-3,4-dihydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • ara ttp
  • ara-ttp
  • arabinosylthymine 5'-triphosphate
CAS Number(s)
  • 66097-68-5
InChIKey RZCIEJXAILMSQK-JAGXHNFQSA-N
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