1-(2-Deoxy-2-Fluoro-β-D-Arabinofuranosyl)-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C9H11FN2O4
IUPAC Name 1-[(2r,3s,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
Molecular Mass 230.193 g·mol−1
Heat of Formation -771.2 ± 16.7 kJ·mol−1
Dipole Moment 5.76 ± 1.08 D
Volume 248.11 Å 3
Surface Area 225.54 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2'-deoxy-2'-fluoro-beta-d-arabinofuranosyl)pyrimidin-2-(1h)-one
  • 1-[(2r,3s,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinone
  • 1-[(2r,3s,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
  • 1-[(2r,3s,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
  • 1-[(2r,3s,4r,5r)-3-fluoro-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidin-2-one
  • 2'-arafluorozebularine
  • 2(1h)-pyrimidinone, 1-(2-deoxy-2-fluoro-beta-d-arabinofuranosyl)-
CAS Number(s)
  • 136675-88-2
InChIKey WQIKHPATWLOZFO-ULAWRXDQSA-N
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