2-Fluoroadenosine 5'-(Tetrahydrogen Triphosphate)

Molecule SVG Image

Properties Simple | Detailed

Formula C10H15FN5O13P3
IUPAC Name [[(2r,3s,4r,5r)-5-(6-amino-2-fluoro-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 525.171 g·mol−1
Heat of Formation -3206.0 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 480.57 Å 3
Surface Area 375.89 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -1.54 ± eV
Point Group Symmetry C1
Synonyms
  • 2-fluoro-adenosine triphosphate
  • 2-fluoro-atp
  • [(2r,3s,4r,5r)-5-(6-amino-2-fluoro-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-2-fluoro-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-2-fluoro-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • adenosine 5'-(tetrahydrogen triphosphate), 2-fluoro-
CAS Number(s)
  • 1492-62-2
InChIKey PIOKUWLZUXUBCO-UUOKFMHZSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N P