2',3'-Dideoxy-2',3'-Difluorocytidine

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Properties Simple | Detailed

Formula C9H11F2N3O3+
IUPAC Name 4-amino-1-[(2r,3s,4r,5r)-3,4-difluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
Molecular Mass 247.199 g·mol−1
Heat of Formation -783.7 ± 16.7 kJ·mol−1
Dipole Moment 9.07 ± 1.08 D
Volume 257.41 Å 3
Surface Area 236.42 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2,3-dideoxy-2,3-difluoro-beta-d-arabinofuranosyl)cytosine
  • 1-(2,3-dideoxy-2,3-difluoroarabinofuranosyl)cytosine
  • 1-ddfac
  • 2(1h)-pyrimidinone, 4-amino-1-(2,3-dideoxy-2,3-difluoro-beta-d-arabinofuranosyl)-
  • 4-amino-1-(2,3-dideoxy-2,3-difluoro-beta-d-arabinofuranosyl)-2(1h)-pyrimidinone
  • 4-amino-1-[(2r,3s,4r,5r)-3,4-difluoro-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinone
  • 4-amino-1-[(2r,3s,4r,5r)-3,4-difluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,3s,4r,5r)-3,4-difluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,3s,4r,5r)-3,4-difluoro-5-methylol-tetrahydrofuran-2-yl]pyrimidin-2-one
CAS Number(s)
  • 128496-20-8
InChIKey FTCVKDVKBLADDH-XVFCMESISA-N
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