4-Amino-1-(2,3-Dideoxy-3-Fluoro-β-L-Erythro-Pentofuranosyl)-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C9H12FN3O3
IUPAC Name 4-amino-1-[(2s,4r,5s)-4-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
Molecular Mass 229.208 g·mol−1
Heat of Formation -644.7 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 250.46 Å 3
Surface Area 231.58 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • 2',3'-dideoxy-3'-fluoro-.beta.-l-cytidine
  • 4-amino-1-[(2s,4r,5s)-4-fluoro-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinone
  • 4-amino-1-[(2s,4r,5s)-4-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2s,4r,5s)-4-fluoro-5-methylol-tetrahydrofuran-2-yl]pyrimidin-2-one
  • cytosine, 1-(2', 3'-dideoxy-3'-fluoro-.beta.-d-glycero-pentofuranosyl)-
InChIKey HNSUDSIHCJEYQG-CHKWXVPMSA-N
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