Chemical Compound

117961-29-2

CAS Registry Number 117961-29-2
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117961-29-2 chemical structure
Primary Record

117961-29-2

In stock
2,886 g
Purity
98.6 %
CAS
117961-29-2

Compound Identifiers & Properties

CAS
117961-29-2
PubChem CID
102146956
SMILES
CC(C1=CC=CC=C1[N+](=O)[O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O.[Na+].[Na+].[Na+]
Canonical SMILES
CC(OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)c1ccccc1[N+](=O)[O-].[Na+].[Na+].[Na+]

Names & Synonyms

  • 117961-29-2
  • A3225
  • G85980
  • Adenosine 5'-triphosphoric acid gamma-[1-(2-nitrophenyl)ethyl]alpha,beta,gamma-trisodium salt
  • A1013348
  • Adenosine 5'-Triphosphate P3-[1-(2-Nitrophenyl)ethyl Ester] Trisodium Salt
  • Adenosine 5'-(tetrahydrogen triphosphate), P''-[1-(2-nitrophenyl)ethyl] ester, trisodium salt
  • trisodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [1-(2-nitrophenyl)ethoxy-oxidophosphoryl] phosphate