1-(3-O-Phosphono-β-D-Arabinofuranosyl)-2,4(1H,3H)-Pyrimidinedione

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Formula C9H13N2O9P
IUPAC Name [(2r,3s,4s,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
Molecular Mass 324.181 g·mol−1
Heat of Formation -1889.8 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 324.15 Å 3
Surface Area 284.22 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4s,5r)-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] dihydrogen phosphate
  • [(2r,3s,4s,5r)-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-2-(hydroxymethyl)-3-tetrahydrofuranyl] dihydrogen phosphate
  • [(2r,3s,4s,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
InChIKey FOGRQMPFHUHIGU-PXBUCIJWSA-N
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