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

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Properties Simple | Detailed

Formula C10H16N5O13P3
IUPAC Name [[(2r,3s,4s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 507.181 g·mol−1
Heat of Formation -3044.2 ± 16.7 kJ·mol−1
Dipole Moment 2.00 ± 1.08 D
Volume 474.14 Å 3
Surface Area 402.03 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry C1
Synonyms
  • 9beta-d-arabinofuranosyladenine 5'-triphosphate
  • 9beta-d-arabinofuranosyladenosine-5'-triphosphate
  • 9beta-d-arabinosyladenine triphosphate
  • 9h-purin-6-amine, 9-(5-o-(hydroxy(hydroxy(phosphonooxy)phosphinyloxy)phosphinyl)-beta-d-arabinofuranosyl)-
  • [(2r,3s,4s,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • adenine, 9beta-d-arabinofuranosyl-, 5'-triphosphate
  • beta-d-arabinofuranosyl-atp
CAS Number(s)
  • 3714-60-1
InChIKey ZKHQWZAMYRWXGA-UHTZMRCNSA-N
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