2'-O-[2-(Methylamino)Benzoyl]Adenosine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C10H23N6O14P3
IUPAC Name [(2r,3r,4r,5r)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]oxolan-3-yl] 2-methylaminobenzoate
Molecular Mass 544.243 g·mol−1
Heat of Formation -3075.7 ± 16.7 kJ·mol−1
Dipole Moment 6.88 ± 1.08 D
Volume 637.14 Å 3
Surface Area 523.15 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -1.65 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-o-(n-methylanthraniloyl)atp
  • 2-methylaminobenzoic acid [(2r,3r,4r,5r)-2-(6-amino-9-purinyl)-4-hydroxy-5-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]-3-tetrahydrofuranyl] ester
  • 2-methylaminobenzoic acid [(2r,3r,4r,5r)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] ester
  • [(2r,3r,4r,5r)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]oxolan-3-yl] 2-methylaminobenzoate
  • [(2r,3r,4r,5r)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 2-methylaminobenzoate
  • adenosine 5'-(tetrahydrogen triphosphate), 2'-(2-(methylamino)benzoate)
CAS Number(s)
  • 130799-34-7
InChIKey OTIXVXNMFVNGEF-LSCFUAHRSA-N
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