Chemical Compound

starbld0016576

CAS Registry Number 104809-30-5
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starbld0016576 chemical structure
Primary Record

starbld0016576

In stock
1,190 g
Purity
98.2 %
CAS
104809-30-5

Compound Identifiers & Properties

CAS
104809-30-5
PubChem CID
155906585
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)O)O)O)O)C(=O)[O-].[Na+]
Canonical SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H]([n+]3cccc(C(=O)[O-])c3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O.[Na+]

Names & Synonyms

  • starbld0016576
  • 104809-30-5
  • Sodium 1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)pyridin-1-ium-3-carboxylate