Chemical Compound

C21H28N7Na4O18P3

CAS Registry Number 2646-71-1
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C21H28N7Na4O18P3 chemical structure
Primary Record

C21H28N7Na4O18P3

In stock
2,132 g
Purity
98.8 %
CAS
2646-71-1

Compound Identifiers & Properties

CAS
2646-71-1
PubChem CID
175687870
SMILES
C1C=CN(C=C1C(=N)[O-])[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.O.[Na+].[Na+].[Na+].[Na+]
Canonical SMILES
N=C([O-])C1=CN([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)C=CC1.O.[Na+].[Na+].[Na+].[Na+]

Names & Synonyms

  • C21H28N7Na4O18P3
  • MFCD10567216
  • 2646-71-1
  • tetrasodium;[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] phosphate;hydrate