Adenosine 3'-(Dihydrogen Phosphate) 5'-(Trihydrogen Diphosphate)

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Properties Simple | Detailed

Formula C10H16N5O13P3
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 507.181 g·mol−1
Heat of Formation -3057.3 ± 16.7 kJ·mol−1
Dipole Moment 7.67 ± 1.08 D
Volume 467.08 Å 3
Surface Area 384.94 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 1.77 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-phosphate-adenosine-5'-diphosphate
  • 3'-phospho-adp
  • 3'-phosphoadenosine diphosphate
  • 5'-diphosphoadenosine 3'-phosphate
  • 5'-ppap-3'
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-4-hydroxy-3-phosphonooxy-2-tetrahydrofuranyl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl phosphono hydrogen phosphate
  • adenosine 3'-phosphate 5'-diphosphate
  • adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate)
CAS Number(s)
  • 13400-10-7
  • 25100-67-8
InChIKey GBBWIZKLHXYJOA-KQYNXXCUSA-N
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