9-[2-Azido-2-Deoxy-5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-β-D-Arabinofuranosyl]-9H-Purin-6-Amine

Molecule SVG Image

Properties Simple | Detailed

Formula C10H15N8O12P3
IUPAC Name [[(2r,3s,4s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-azido-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 532.194 g·mol−1
Heat of Formation -2501.9 ± 16.7 kJ·mol−1
Dipole Moment 6.62 ± 1.08 D
Volume 499.71 Å 3
Surface Area 393.47 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
Synonyms
  • 9beta-(2'azido-2'-deoxy-d-arabinofuranosyl)adenine 5'-triphosphate
  • 9h-purin-6-amine, 9-(2-azido-2-deoxy-5-o-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-d-arabinofuranosyl)-
  • [(2r,3s,4s,5r)-5-(6-amino-9-purinyl)-4-azido-3-hydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-5-(6-aminopurin-9-yl)-4-azido-3-hydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-5-(6-aminopurin-9-yl)-4-azido-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-5-(6-aminopurin-9-yl)-4-azido-3-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • arazide 5'-triphosphate
CAS Number(s)
  • 81542-87-2
InChIKey YEVIXVIVDZWHKS-GQTRHBFLSA-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