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

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Properties Simple | Detailed

Formula C11H11FN2O5
IUPAC Name 5-ethynyl-1-[(2r,3s,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
Molecular Mass 270.214 g·mol−1
Heat of Formation -796.5 ± 16.7 kJ·mol−1
Dipole Moment 4.19 ± 1.08 D
Volume 249.34 Å 3
Surface Area 223.57 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy 1.96 ± eV
Point Group Symmetry C1
Synonyms
  • 5-ethynyl-1-(3-fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1h-pyrimidine-2,4-dione
  • 5-ethynyl-1-[(2r,3s,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione
  • 5-ethynyl-1-[(2r,3s,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
  • 5-ethynyl-1-[(2r,3s,4r,5r)-3-fluoro-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone
CAS Number(s)
  • 95740-26-4
InChIKey YEEGMPUOCRQFRV-IBCQBUCCSA-N
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