3'-O-(4-Benzoylbenzoyl)Adenosine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C24H24N5O15P3
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 4-benzoylbenzoate
Molecular Mass 715.393 g·mol−1
Heat of Formation -3105.9 ± 16.7 kJ·mol−1
Dipole Moment 7.34 ± 1.08 D
Volume 724.86 Å 3
Surface Area 587.92 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-o-(4-benzoyl)benzoyl atp
  • 3'-o-(4-benzoyl)benzoyladenosine 5'-triphosphate
  • 3'-o-(4-benzoylbenzoyl)atp
  • 4-(benzoyl)benzoic acid [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] ester
  • 4-(oxo-phenylmethyl)benzoic acid [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]-3-tetrahydrofuranyl] ester
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]oxolan-3-yl] 4-phenylcarbonylbenzoate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 4-(benzoyl)benzoate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]oxolan-3-yl] 4-(benzoyl)benzoate
  • bzatp
CAS Number(s)
  • 81790-82-1
InChIKey AWJJLYZBWRIBCZ-UGTJMOTHSA-N
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