9-(2,3-Dideoxy-2-Fluoro-β-D-Threo-Pentofuranosyl)-N-Methyl-9H-Purin-6-Amine

Molecule SVG Image

Properties Simple | Detailed

Formula C11H14FN5O2
IUPAC Name [(2s,4s,5r)-4-fluoro-5-[6-(methylamino)purin-9-ium-9-yl]tetrahydrofuran-2-yl]methanol
Molecular Mass 267.260 g·mol−1
Heat of Formation -297.3 ± 16.7 kJ·mol−1
Dipole Moment 2.49 ± 1.08 D
Volume 291.02 Å 3
Surface Area 265.71 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • 9-(2'-fluoro,2',3'-dideoxy-.beta.-d-arabinofuranosyl)-n-methyl-adenine
  • [(2s,4s,5r)-4-fluoro-5-(6-methylamino-9-purinyl)-2-tetrahydrofuranyl]methanol
  • [(2s,4s,5r)-4-fluoro-5-(6-methylaminopurin-9-yl)oxolan-2-yl]methanol
  • [(2s,4s,5r)-4-fluoro-5-(6-methylaminopurin-9-yl)tetrahydrofuran-2-yl]methanol
  • n6-methyl-2'-f-dd-ara-a
InChIKey BBUZAEMTTVCRAD-OKTBNZSVSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F