1-(2,3-Dideoxy-2,3-Difluoro-β-D-Arabinofuranosyl)Cytosine

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Properties Simple | Detailed

Formula C9H11F2N3O3
IUPAC Name 4-amino-1-[(2r,3r,4r,5r)-3,4-difluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-3-ium-2-one
Molecular Mass 247.199 g·mol−1
Heat of Formation -810.5 ± 16.7 kJ·mol−1
Dipole Moment 7.64 ± 1.08 D
Volume 253.39 Å 3
Surface Area 232.89 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy 2.36 ± eV
Point Group Symmetry C1
Synonyms
  • 127841-00-3 (hydrochloride)
  • 2',3'-dif-arabino-ddc
  • 2',3'-difluoro-2',3'-dideoxycytidine
  • 2(1h)-pyrimidinone, 4-amino-1-(2,3-dideoxy-2,3-difluoro-.beta.-d-arabinofuranosyl)-
  • 4-amino-1-[(2r,3r,4r,5r)-3,4-difluoro-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinone
  • 4-amino-1-[(2r,3r,4r,5r)-3,4-difluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,3r,4r,5r)-3,4-difluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,3r,4r,5r)-3,4-difluoro-5-methylol-tetrahydrofuran-2-yl]pyrimidin-2-one
InChIKey FTCVKDVKBLADDH-CCXZUQQUSA-N
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