2'-Deoxy-2'-({[5-(Dimethylamino)-1-Naphthyl]Sulfonyl}Amino)Adenosine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C22H28N7O14P3S
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 739.483 g·mol−1
Heat of Formation -3096.3 ± 16.7 kJ·mol−1
Dipole Moment 6.54 ± 1.08 D
Volume 722.01 Å 3
Surface Area 480.92 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -1.94 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-(5-dimethylaminonaphthalene-1-sulfonyl)amino-2'-deoxy-atp
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-4-[(5-dimethylamino-1-naphthyl)sulfonylamino]-3-hydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-[(5-dimethylamino-1-naphthyl)sulfonylamino]-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-[(5-dimethylaminonaphthalen-1-yl)sulfonylamino]-3-hydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-[(5-dimethylaminonaphthalen-1-yl)sulfonylamino]-3-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • adenosine 5'-(tetrahydrogen triphosphate), 2'-deoxy-2'-(((5-(dimethylamino)-1-naphthalenyl)sulfonyl)amino)-
  • dansylamino deoxy-adenosine triphosphate
  • dansylamino deoxy-atp
  • dns-atp
CAS Number(s)
  • 80214-45-5
InChIKey LJBBNUJRGFSTNW-YDVTWLGESA-N
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