4-Amino-1-[2-Deoxy-2-(Fluoromethyl)-β-D-Arabinofuranosyl]-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C10H5FN3O4
IUPAC Name 4-(fluoromethyl)-5-[(3-isocyanato-1-azoniacyclopropa-1,3-dien-2-yl)methylamino]-2-(oxomethylene)furan-3-one
Molecular Mass 250.163 g·mol−1
Heat of Formation 338.7 ± 16.7 kJ·mol−1
Dipole Moment 8.91 ± 1.08 D
Volume 253.09 Å 3
Surface Area 258.32 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy -1.89 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-1-[(2r,3s,4s,5r)-3-(fluoromethyl)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinone
  • 4-amino-1-[(2r,3s,4s,5r)-3-(fluoromethyl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,3s,4s,5r)-3-(fluoromethyl)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidin-2-one
InChIKey GWIVLMCBGFOGLA-JWIUVKOKSA-N
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