Adenosine 3',5'-Bis(Trihydrogen Diphosphate)

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Properties Simple | Detailed

Formula C10H17N5O16P4
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl] phosphono hydrogen phosphate
Molecular Mass 587.161 g·mol−1
Heat of Formation -3865.6 ± 16.7 kJ·mol−1
Dipole Moment 7.82 ± 1.08 D
Volume 538.6 Å 3
Surface Area 449.21 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-4-hydroxy-2-[(hydroxy-phosphonooxyphosphoryl)oxymethyl]-3-tetrahydrofuranyl] phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]tetrahydrofuran-3-yl] phosphono hydrogen phosphate
  • adenosine 3'-(trihydrogen diphosphate), 5'-(trihydrogen diphosphate)
  • adenosine 3'-diphosphate 5'-diphosphate
  • adenosine-5'-3'(2')-bis(diphosphate)
  • ppapp
CAS Number(s)
  • 28218-64-6
InChIKey DWZMGWMGGHNJLF-KQYNXXCUSA-N
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