3'-O-(5-Fluoro-2,4-Dinitrophenyl)(8-~14~C)Adenosine 5'-(Trihydrogen Diphosphate)

Molecule SVG Image

Properties Simple | Detailed

Formula C16H16FN7O14P2
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3-(5-fluoro-2,4-dinitro-phenoxy)-4-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 613.275 g·mol−1
Heat of Formation -2234.2 ± 16.7 kJ·mol−1
Dipole Moment 8.33 ± 1.08 D
Volume 581.58 Å 3
Surface Area 491.16 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -1.82 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-o-(5-fluoro-2,4-dinitrophenyl)adenosine diphosphate ether
  • 3'-o-(5-fluoro-2,4-dinitrophenyl)adp ether
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3-(5-fluoro-2,4-dinitrophenoxy)-4-hydroxy-2-tetrahydrofuranyl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3-(5-fluoro-2,4-dinitro-phenoxy)-4-hydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3-(5-fluoro-2,4-dinitro-phenoxy)-4-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • adenosine-8-14c 5'-(trihydrogen diphosphate), 3'-o-(5-fluoro-2,4-dinitrophenyl)-
  • fdnp-adp
CAS Number(s)
  • 117414-72-9
InChIKey HXFSLECKHFOJGS-PEAUNDLMSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N P