4-Amino-1-(2,3-Dideoxy-2-Fluoro-α-D-Erythro-Pentofuranosyl)-5-Fluoro-2(1H)-Pyrimidinone

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Formula C9H11F2N3O3
IUPAC Name 4-amino-5-fluoro-1-[(2s,3r,5s)-3-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-3-ium-2-one
Molecular Mass 247.199 g·mol−1
Heat of Formation -805.5 ± 16.7 kJ·mol−1
Dipole Moment 2.40 ± 1.08 D
Volume 258.06 Å 3
Surface Area 238.81 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
Synonyms
  • .alpha.-d-2',3'-dideoxy-2'-fluoro-5-fluorocytidine
  • 4-amino-5-fluoro-1-[(2s,3r,5s)-3-fluoro-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinone
  • 4-amino-5-fluoro-1-[(2s,3r,5s)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
  • 4-amino-5-fluoro-1-[(2s,3r,5s)-3-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
  • 4-amino-5-fluoro-1-[(2s,3r,5s)-3-fluoro-5-methylol-tetrahydrofuran-2-yl]pyrimidin-2-one
InChIKey PQIIAWFMYCQACX-UUEMRFSQSA-N
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