3'-O-(2-Aminobenzoyl)-2'-Deoxyadenosine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C17H21N6O13P3
IUPAC Name [(2r,3s,5r)-5-(6-aminopurin-9-yl)-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 2-aminobenzoate
Molecular Mass 610.302 g·mol−1
Heat of Formation -2953.6 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 604.23 Å 3
Surface Area 501.65 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -1.57 ± eV
Point Group Symmetry C1
Synonyms
  • 2-aminobenzoic acid [(2r,3s,5r)-5-(6-amino-9-purinyl)-2-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]-3-tetrahydrofuranyl] ester
  • 2-aminobenzoic acid [(2r,3s,5r)-5-(6-aminopurin-9-yl)-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] ester
  • 3'-anthraniloyl-2'-deoxy-atp
  • 3'anthraniloyl-2'-deoxy-adenosine-5'-triphosphate
  • [(2r,3s,5r)-5-(6-aminopurin-9-yl)-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]oxolan-3-yl] 2-aminobenzoate
  • [(2r,3s,5r)-5-(6-aminopurin-9-yl)-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 2-aminobenzoate
  • [(2r,3s,5r)-5-(6-aminopurin-9-yl)-2-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]oxolan-3-yl] 2-aminobenzoate
  • adenosine 5'-(tetrahydrogen triphosphate), 2'-deoxy-, 3'-(2-aminobenzoate)
  • ant-datp
  • ant-deoxy-atp
  • dot
CAS Number(s)
  • 130996-25-7
InChIKey FIWKNPONGIOEHC-YNEHKIRRSA-N
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