1-(2-Deoxy-2-Fluoro-β-D-Arabinofuranosyl)-5-Vinyl-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C11H13FN2O5
IUPAC Name 1-[(2r,3s,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-vinyl-pyrimidine-2,4-dione
Molecular Mass 272.230 g·mol−1
Heat of Formation -978.6 ± 16.7 kJ·mol−1
Dipole Moment 5.61 ± 1.08 D
Volume 296.25 Å 3
Surface Area 262.09 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-deoxy-(2-fluoroarabinofuranosyl))-5-vinyluracil
  • 1-(3-fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-vinyl-1h-pyrimidine-2,4-dione
  • 1-[(2r,3s,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-vinylpyrimidine-2,4-dione
  • 1-[(2r,3s,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-vinyl-pyrimidine-2,4-dione
  • 1-[(2r,3s,4r,5r)-3-fluoro-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-vinyl-pyrimidine-2,4-quinone
  • fvau
CAS Number(s)
  • 87782-49-8
InChIKey XPLOHHLOYRUBAI-IBCQBUCCSA-N
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