1-(2-Deoxy-2-Fluoro-β-D-Arabinofuranosyl)-Cytosine

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Properties Simple | Detailed

Formula C9H12FN3O4
IUPAC Name 4-amino-1-[(2r,3s,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
Molecular Mass 245.208 g·mol−1
Heat of Formation -781.2 ± 16.7 kJ·mol−1
Dipole Moment 7.64 ± 1.08 D
Volume 262.54 Å 3
Surface Area 239.79 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • 2(1h)-pyrimidinone, 4-amino-1-(2-deoxy-2-fluoro-beta-d-arabinofuranosyl)-
  • 4-amino-1-(2-deoxy-2-fluoro-beta-d-arabinofuranosyl)-2(1h)-pyrimidinone
  • 4-amino-1-[(2r,3s,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinone
  • 4-amino-1-[(2r,3s,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,3s,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,3s,4r,5r)-3-fluoro-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidin-2-one
CAS Number(s)
  • 56632-83-8
InChIKey NVZFZMCNALTPBY-PXBUCIJWSA-N
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