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

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Properties Simple | Detailed

Formula C22H21N7O14P3S
IUPAC Name [[(2r,3s,4r,5r)-5-[(5e)-4-cyano-5-cyanoimino-imidazol-1-yl]-3-hydroxy-4-[[4-(isocyanomethyl)-2,3,5,6,7,8-hexahydronaphthalene-2,3,5,6,7,8-hexaid-1-yl]sulfonylamino]tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] (3-oxo-1,2,3λ5-dioxaphosphiran-3-yl) phosphate
Molecular Mass 732.427 g·mol−1
Heat of Formation -2990.9 ± 16.7 kJ·mol−1
Dipole Moment 8.42 ± 1.08 D
Volume 742.41 Å 3
Surface Area 583.42 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -1.45 ± 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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