Chemical Compound

C21H35N7NaO16P3S

CAS Registry Number 55672-92-9
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C21H35N7NaO16P3S chemical structure
Primary Record

C21H35N7NaO16P3S

In stock
7,720 g
Purity
99.6 %
CAS
55672-92-9

Compound Identifiers & Properties

CAS
55672-92-9
PubChem CID
155970199
SMILES
CC(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)C(C(=O)NCCC(=NCCS)[O-])O.[Na+]
Canonical SMILES
CC(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)C(O)C(=O)NCCC([O-])=NCCS.[Na+]

Names & Synonyms

  • C21H35N7NaO16P3S
  • MFCD00079020
  • 55672-92-9
  • sodium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] hydrogen phosphate