Chemical Compound

SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE

SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE chemical structure
Primary Record

SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
23644584
SMILES
C1=C(C=C([C@@]2(C1[N+](=O)[O-])O[C@@H]3[C@H](O[C@H]([C@@H]3O2)N4C=NC5=C(N=CN=C54)N)COP(=O)(O)OP(=O)(O)O)[N+](=O)[O-])[N+](=O)[O-]
Canonical SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H]2O[C@@]3(O[C@H]21)C([N+](=O)[O-])=CC([N+](=O)[O-])=CC3[N+](=O)[O-]

Names & Synonyms

  • SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE
  • 12D
  • 2',3'-O-[(1r,6r)-2,4,6-Trinitrocyclohexa-2,4-Diene-1,1-Diyl]adenosine 5'-(Trihydrogen Diphosphate)