3'-O-(4-Benzoylbenzoyl)Adenosine 5'-(Trihydrogen Diphosphate)

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Properties Simple | Detailed

Formula C14H25N5O12P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-amino-2,8-dihydropurin-9-yl)-4-hydroxy-3-(2-methylpropanoyloxy)tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate hydrate
Molecular Mass 517.322 g·mol−1
Heat of Formation -2223.5 ± 16.7 kJ·mol−1
Dipole Moment 4.98 ± 1.08 D
Volume 659.17 Å 3
Surface Area 552.91 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-o-(4-benzoyl)benzoyl-adp
  • 3'-o-(4-benzoyl)benzoyladenosine diphosphate
  • 4-(benzoyl)benzoic acid [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]tetrahydrofuran-3-yl] ester
  • 4-(oxo-phenylmethyl)benzoic acid [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-4-hydroxy-2-[(hydroxy-phosphonooxyphosphoryl)oxymethyl]-3-tetrahydrofuranyl] ester
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]oxolan-3-yl] 4-phenylcarbonylbenzoate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]tetrahydrofuran-3-yl] 4-(benzoyl)benzoate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[(hydroxy-phosphonooxyphosphoryl)oxymethyl]oxolan-3-yl] 4-(benzoyl)benzoate
  • adenosine 5'-(trihydrogen diphsophate), 3'-(4-benzoylbenzoate)
  • bzadp
CAS Number(s)
  • 87550-03-6
InChIKey RICNGWAMNNTGCG-UGTJMOTHSA-N
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