Chemical Compound

C27H41N7Na3O20P3S

CAS Registry Number 103476-21-7
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C27H41N7Na3O20P3S chemical structure
Primary Record

C27H41N7Na3O20P3S

In stock
7,822 g
Purity
98.1 %
CAS
103476-21-7

Compound Identifiers & Properties

CAS
103476-21-7
PubChem CID
145711707
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@H](C(=NCCC(=NCCSC(=O)CC(C)(CC(=O)[O-])O)[O-])[O-])O.[Na+].[Na+].[Na+]
Canonical SMILES
CC(O)(CC(=O)[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.[Na+].[Na+].[Na+]

Names & Synonyms

  • C27H41N7Na3O20P3S
  • MFCD17215980
  • Coenzyme A, S-(hydrogen 3-hydroxy-3-methyl pentanedioate), trisodium salt
  • 103476-21-7
  • trisodium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-(4-carboxy-3-hydroxy-3-methyl-butanoyl)sulfanylethylamino]-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butoxy]-oxido-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] phosphate