1-(2,3-Dideoxy-2-Fluoro-.β.-D-Threo-Pentofuranosyl)-Cytosine

Molecule SVG Image

Properties Simple | Detailed

Formula C9H12FN3O3
IUPAC Name 4-amino-1-[(2r,3s,5s)-3-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
Molecular Mass 229.208 g·mol−1
Heat of Formation -625.5 ± 16.7 kJ·mol−1
Dipole Moment 5.78 ± 1.08 D
Volume 249.83 Å 3
Surface Area 231.15 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2',3'-dideoxy-2'-fluoro-.beta.-d-threo-pentofuranosyl)cytosine
  • 1-(2,3-dideoxy-2-fluoro-beta-d-threo-pentofuranosyl)cytosine
  • 1-(2,3-dideoxy-2-fluoropentofuranosyl)cytosine
  • 2'-f-dd-ara-c
  • 2'-f-ddarac
  • 2'-fluoro-2',3'-dideoxyarabinosylcytosine
  • 2(1h)-pyrimidinone, 4-amino-1-(2,3-dideoxy-2-fluoro-.beta.-d-threo-pentofuranosyl)-
  • 2(1h)-pyrimidinone, 4-amino-1-(2,3-dideoxy-2-fluoro-beta-d-threo-pentafuranosyl)-
  • 2,3-ddfpc
  • 4-amino-1-(2,3-dideoxy-2-fluoro-beta-d-threo-pentafuranosyl)-2(1h)-pyrimidinone
  • 4-amino-1-[(2r,3s,5s)-3-fluoro-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinone
  • 4-amino-1-[(2r,3s,5s)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,3s,5s)-3-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,3s,5s)-3-fluoro-5-methylol-tetrahydrofuran-2-yl]pyrimidin-2-one
  • ro 31-6840
CAS Number(s)
  • 119555-47-4
InChIKey LTDCCBLBAQXNKP-VMHSAVOQSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F