4-Amino-1-[(2R,5R)-3-Fluoro-5-(Hydroxymethyl)-2,5-Dihydro-2-Furanyl]-2(1H)-Pyrimidinone

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Formula C9H10FN3O3
IUPAC Name 4-amino-1-[(2r,5r)-3-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
Molecular Mass 227.192 g·mol−1
Heat of Formation -508.9 ± 16.7 kJ·mol−1
Dipole Moment 7.51 ± 1.08 D
Volume 242.31 Å 3
Surface Area 228.48 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2,3-dideoxy-2-fluoro-.alpha.-l-glycero-pent-2-eno-furanosyl)cytosine
  • 4-amino-1-[(2r,5r)-3-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2-pyrimidinone
  • 4-amino-1-[(2r,5r)-3-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,5r)-3-fluoro-5-methylol-2,5-dihydrofuran-2-yl]pyrimidin-2-one
InChIKey KXCHLAARWGPSAG-SVGQVSJJSA-N
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