5'-O-[{[{[Hydroperoxy(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Adenosine

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Properties Simple | Detailed

Formula C10H17N5O14P3
IUPAC Name [[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-λ1-azanylpurin-7-ium-9-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [oxido(oxidooxy)phosphoryl] phosphate
Molecular Mass 524.188 g·mol−1
Heat of Formation -2930.5 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 491.08 Å 3
Surface Area 423.5 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -1.70 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-adenylic acid, monoanhydride with peroxydiphosphoric acid (((ho)2p(o))2o2)
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [(hydroperoxy-hydroxyphosphoryl)oxy-hydroxyphosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [(hydroperoxy-hydroxy-phosphoryl)oxy-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(hydroperoxy-hydroxy-phosphoryl)oxy-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(hydroperoxy-hydroxyphosphoryl)oxy-hydroxyphosphoryl] hydrogen phosphate
  • adenosine 5'-(beta,gamma-peroxytriphosphate)
  • adenylyl 5'-peroxydiphosphate
  • amp-po2p
  • beta,gamma-peroxy-atp
CAS Number(s)
  • 80589-10-2
InChIKey SGQCMEQGDCLJBU-KQYNXXCUSA-N
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