Triphosphoric Acid, Mono[(2R)-2-[(1R)-1-(6-Amino-9H-Purin-9-Yl)-2-Oxoethoxy]-3-Oxopropyl] Ester

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Properties Simple | Detailed

Formula C10H14N5O13P3
IUPAC Name [[(2r)-2-[(1r)-1-(6-aminopurine-1,3,7-triium-9-yl)-2-oxo-ethoxy]-3-oxo-propoxy]-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 505.165 g·mol−1
Heat of Formation -2899.1 ± 16.7 kJ·mol−1
Dipole Moment 6.52 ± 1.08 D
Volume 469.43 Å 3
Surface Area 396.13 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -1.43 ± eV
Point Group Symmetry C1
Synonyms
  • 2',3'-dialdehyde atp
  • [(2r)-2-[(1r)-1-(6-amino-9-purinyl)-2-oxoethoxy]-3-oxopropyl] (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r)-2-[(1r)-1-(6-aminopurin-9-yl)-2-keto-ethoxy]-3-keto-propyl] (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r)-2-[(1r)-1-(6-aminopurin-9-yl)-2-oxo-ethoxy]-3-oxo-propyl] (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r)-2-[(1r)-1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropyl] (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • adenosine 5'-triphosphate 2',3',-dialdehyde
  • atp dialdehyde
  • dial-atp
  • oatp
  • oxidised atp
  • oxidized atp
  • oxo-atp
  • triphosphoric acid, p-(2-(1-(6-amino-9h-purin-9-yl)-2-oxoethoxy-3-oxopropyl)) ester
CAS Number(s)
  • 54970-91-1
InChIKey ZOSTZYMLOPBGQI-NKWVEPMBSA-N
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