3-[2-Deoxy-5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-β-D-Erythro-Pentofuranosyl]-3H-Imidazo[2,1-I]Purine

Molecule SVG Image

Properties Simple | Detailed

Formula C12H16N5O12P3
IUPAC Name [[[(2r,3s,5r)-3-hydroxy-5-(8h-imidazo[2,1-f]purine-1,4-diium-8-ylium-3-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate
Molecular Mass 515.203 g·mol−1
Heat of Formation -1681.0 ± 16.7 kJ·mol−1
Dipole Moment 6.27 ± 1.08 D
Volume 470.8 Å 3
Surface Area 350.26 Å 2
Point Group Symmetry C1
Synonyms
  • 1,n(6)-etheno-2'-deoxyadenosine 5'-triphosphate
  • 1,n(sup 6)-ethenodeoxyadenosine triphosphate
  • 3h-imidazo(2,1-i)purine, 3-(2-deoxy-5-o-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-d-erythro-pentofuranosyl)-
  • [(2r,3s,5r)-3-hydroxy-5-(3-imidazo[2,1-f]purinyl)-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-imidazo[2,1-f]purin-3-yl-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • etheno deoxyadenosine triphosphate
CAS Number(s)
  • 81004-54-8
InChIKey OLJFCGDEGHURMU-DJLDLDEBSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N