Chemical Compound

DTXSID70906989

CAS Registry Number 102029-73-2
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DTXSID70906989 chemical structure
Primary Record

DTXSID70906989

In stock
8,088 g
Purity
99.5 %
CAS
102029-73-2

Compound Identifiers & Properties

CAS
102029-73-2
PubChem CID
138396751
SMILES
CC(=O)SCCN=C(CCNC(=O)C(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-].[Na+]
Canonical SMILES
CC(=O)SCCN=C([O-])CCNC(=O)C(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.[Na+]

Names & Synonyms

  • DTXSID70906989
  • 102029-73-2
  • Sodium 5'-O-[{[{4-[(2-{[2-(acetylsulfanyl)ethyl]carboximidato}ethyl)imino]-3,4-dihydroxy-2,2-dimethylbutoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)
  • Sodium 9-{5-O-[{[{4-[(2-{[2-(acetylsulfanyl)ethyl]carboximidato}ethyl)imino]-3,4-dihydroxy-2,2-dimethylbutoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine