4-Amino-1-(2,3-Dideoxy-2-Fluoropentofuranosyl)-5-Fluoro-2(1H)-Pyrimidinone

Molecule SVG Image

Properties Simple | Detailed

Formula C9H11F2N3O3+
IUPAC Name 4-amino-5-fluoro-1-[(2r,3s,5s)-3-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
Molecular Mass 247.199 g·mol−1
Heat of Formation -791.3 ± 16.7 kJ·mol−1
Dipole Moment 4.63 ± 1.08 D
Volume 258.44 Å 3
Surface Area 238.14 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2,3-dideoxy-2-fluoro-.beta.-d-threo-pentofuranosyl)-cytosine
  • 2',5dif-dd-arac
  • 2'5-difluoro-2',3'-dideoxyarabinosylcytosine
  • 2(1h)-pyrimidinone, 4-amino-1-(2,3-dideoxy-2-fluoro-.beta.-d-threo-pentofuranosyl)-5-fluoro-
  • 4-amino-5-fluoro-1-[(2r,3s,5s)-3-fluoro-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinone
  • 4-amino-5-fluoro-1-[(2r,3s,5s)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
  • 4-amino-5-fluoro-1-[(2r,3s,5s)-3-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
  • 4-amino-5-fluoro-1-[(2r,3s,5s)-3-fluoro-5-methylol-tetrahydrofuran-2-yl]pyrimidin-2-one
CAS Number(s)
  • 128496-09-3
InChIKey PQIIAWFMYCQACX-ZVQZEWSASA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F