Chemical Compound

C21H27N7NaO17P3

CAS Registry Number 1184-16-3
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C21H27N7NaO17P3 chemical structure
Primary Record

C21H27N7NaO17P3

In stock
4,444 g
Purity
99.6 %
CAS
1184-16-3

Compound Identifiers & Properties

CAS
1184-16-3
PubChem CID
175687985
SMILES
C1=CC(=C[N+](=C1)[C@H]2[C@H]([C@H]([C@H](O2)COP(=O)(O)OP(=O)([O-])OC[C@@H]3[C@H]([C@@H]([C@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=N)[O-].[Na+]
Canonical SMILES
N=C([O-])c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]3O[C@H](n4cnc5c(N)ncnc54)[C@@H](OP(=O)(O)O)[C@@H]3O)[C@H](O)[C@@H]2O)c1.[Na+]

Names & Synonyms

  • C21H27N7NaO17P3
  • MFCD00036973
  • 1184-16-3
  • sodium;[[(2R,3R,4S,5S)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(2R,3R,4S,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate