6-Chloro-9-(2-Deoxy-2-Fluoro-.β.-D-Ribofuranosyl)Purine

Molecule SVG Image

Properties Simple | Detailed

Formula C10H10ClFN4O3
IUPAC Name (2r,3r,4r,5r)-5-(6-chloropurin-9-ium-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol
Molecular Mass 288.663 g·mol−1
Heat of Formation -455.4 ± 16.7 kJ·mol−1
Dipole Moment 3.40 ± 1.08 D
Volume 294.44 Å 3
Surface Area 263.17 Å 2
HOMO Energy -10.17 ± 0.55 eV
LUMO Energy -1.44 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r,5r)-5-(6-chloro-9-purinyl)-4-fluoro-2-(hydroxymethyl)-3-tetrahydrofuranol
  • (2r,3r,4r,5r)-5-(6-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol
  • (2r,3r,4r,5r)-5-(6-chloropurin-9-yl)-4-fluoro-2-methylol-tetrahydrofuran-3-ol
  • 6-chloro-9-(2-deoxy-2-fluororibofuranosyl)purine
  • 6-cl-9-dfr-purine
  • 6cl2'f-purdr
CAS Number(s)
  • 150863-84-6
InChIKey HLXISARTQIJHHE-QYYRPYCUSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H Cl O N