Chemical Compound

C25H43N7Na3O21P3S

CAS Registry Number 102029-52-7
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C25H43N7Na3O21P3S chemical structure
Primary Record

C25H43N7Na3O21P3S

In stock
6,803 g
Purity
99.7 %
CAS
102029-52-7

Compound Identifiers & Properties

CAS
102029-52-7
PubChem CID
176450889
SMILES
CC(=O)CC(=O)SCCN=C(CCN=C([C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])O)[O-])[O-].O.O.O.[Na+].[Na+].[Na+]
Canonical SMILES
CC(=O)CC(=O)SCCN=C([O-])CCN=C([O-])[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])O.O.O.O.[Na+].[Na+].[Na+]

Names & Synonyms

  • C25H43N7Na3O21P3S
  • MFCD00084766
  • 102029-52-7
  • trisodium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxobutanoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] hydrogen phosphate;trihydrate