Triphosphoric Acid, Mono[[(2R,5R)-5-(6-Amino-9H-Purin-9-Yl)-2,5-Dihydro-3-Hydroxy-2-Furanyl]Methyl] Ester

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Properties Simple | Detailed

Formula C10H14N5O12P3
IUPAC Name [[(2r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-2,5-dihydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 489.166 g·mol−1
Heat of Formation -2762.9 ± 16.7 kJ·mol−1
Dipole Moment 4.07 ± 1.08 D
Volume 456.21 Å 3
Surface Area 346.59 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
Synonyms
  • 2',3'-epoxyadenosine 5'-triphosphate
  • [(2r,5r)-5-(6-amino-9-purinyl)-3-hydroxy-2,5-dihydrofuran-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-2,5-dihydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-2,5-dihydrofuran-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • adenosine 2',3'-epoxide 5'-triphosphate
  • adenosine 2',3'-riboepoxide 5'-triphosphate
  • adenosine 5'-(tetrahydrogen triphosphate), 2',3'-anhydro-
  • epoxyatp
CAS Number(s)
  • 61468-92-6
InChIKey WPCHUTFTBMGYRS-RNFRBKRXSA-N
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