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

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Properties Simple | Detailed

Formula C18H23N6O14P3
IUPAC Name [[[(2r,3s,4r,5r)-5-[4-amino-5-[amino(azaniumylidene)methyl]-2,4-dihydroimidazol-3-yl]-3-formyloxy-4-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate; ammonia
Molecular Mass 640.328 g·mol−1
Heat of Formation -3096.9 ± 16.7 kJ·mol−1
Dipole Moment 5.68 ± 1.08 D
Volume 639.11 Å 3
Surface Area 517.73 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
Synonyms
  • 2'(3')-o-(n-methylanthraniloyl)-adenosine 5'-triphosphate
  • 2-methylaminobenzoic acid [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]-3-tetrahydrofuranyl] ester
  • 2-methylaminobenzoic acid [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] ester
  • 21h,23h-porphine-2,18-dipropanoic acid, 3,7,13,17-tetramethyl-
  • 3'-o-(n-methylanthraniloyl) atp
  • 3'-o-n-methylanthraniloyl-atp
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]oxolan-3-yl] 2-methylaminobenzoate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 2-methylaminobenzoate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]oxolan-3-yl] 2-methylaminobenzoate
  • adenosine 5'-(tetrahydrogen triphosphate), 3'-(2-(methylamino)benzoate)
  • adenosine 5'-(tetrahydrogen triphosphate), 3'-[2-(methylamino)benzoate] (9ci)
  • adenosine, 3'-[2-(methylamino)benzoate] 5'-(tetrahydrogen triphosphate)
  • mant-atp
CAS Number(s)
  • 85287-56-5
InChIKey YAPJXKKTHXODSV-LSCFUAHRSA-N
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