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

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Properties Simple | Detailed

Formula C9H12FN3O3
IUPAC Name 4-amino-5-fluoro-1-[(2s,5r)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
Molecular Mass 229.208 g·mol−1
Heat of Formation -618.1 ± 16.7 kJ·mol−1
Dipole Moment 4.45 ± 1.08 D
Volume 250.97 Å 3
Surface Area 234.44 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • (2s-cis)-4-amino-5-fluoro-1-(tetrahydro-5-(hydroxymethyl)-2-furanyl)-2(1h)-pyrimidinone
  • .a.-l-fddc
  • .alpha.-l-fddc
  • .beta.-l-2',3'-dideoxy-5-fluorocytidine
  • .beta.-l-5-fddc
  • .beta.-l-fddc
  • 2',3'-dideoxy-.alpha.-l-5-fluorocytidine
  • 2',3'-dideoxy-beta-5-fluorocytidine
  • 2',3'-dideoxy-beta-l-5-fluorocytidine
  • 2(1h)-pyrimidinone, 4-amino-5-fluoro-1-(tetrahydro-5-(hydroxymethyl)-2-furanyl)-, (2s-cis)-
  • 4-amino-5-fluoro-1-[(2s,5r)-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinone
  • 4-amino-5-fluoro-1-[(2s,5r)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
  • 4-amino-5-fluoro-1-[(2s,5r)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
  • 4-amino-5-fluoro-1-[(2s,5r)-5-methyloltetrahydrofuran-2-yl]pyrimidin-2-one
  • 5-f-b.-l-ddc
  • beta-fddc
  • l-fddc
CAS Number(s)
  • 147058-39-7
InChIKey QBEIABZPRBJOFU-VDTYLAMSSA-N
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