6-Chloro-9-(5-O-Phosphono-β-D-Ribofuranosyl)-9H-Purine

Molecule SVG Image

Properties Simple | Detailed

Formula C10H12ClN4O7P
IUPAC Name [(2r,3s,4r,5r)-5-(6-chloropurin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 366.652 g·mol−1
Heat of Formation -1316.2 ± 16.7 kJ·mol−1
Dipole Moment 5.34 ± 1.08 D
Volume 355.37 Å 3
Surface Area 301.89 Å 2
HOMO Energy -10.28 ± 0.55 eV
LUMO Energy -1.63 ± eV
Point Group Symmetry C1
Synonyms
  • 6-chloroinosine monophosphate
  • 6-chloropurine 9-beta-d-ribofuranosyl 5'-monophosphate
  • 6-chloropurine riboside 5'-monophosphate
  • 6-chloropurine ribotide
  • [(2r,3s,4r,5r)-5-(6-chloro-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-chloropurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-chloropurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
InChIKey ALOBOMYIOYNCBS-KQYNXXCUSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N P