Chemical Compound

KPVQNXLUPNWQHM-RBEMOOQDSA-N

CAS Registry Number 86-08-8
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KPVQNXLUPNWQHM-RBEMOOQDSA-N chemical structure
Primary Record

KPVQNXLUPNWQHM-RBEMOOQDSA-N

In stock
4,077 g
Purity
98.9 %
CAS
86-08-8

Compound Identifiers & Properties

CAS
86-08-8
PubChem CID
131704240
SMILES
CC(=O)C1=C[N+](=CC=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
Canonical SMILES
CC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1

Names & Synonyms

  • KPVQNXLUPNWQHM-RBEMOOQDSA-N
  • C22H28N6O14P2
  • 3-acetylpyridine adenine dinucleotide
  • MFCD00078882
  • DB03363
  • [(2R,3S,4R,5R)-5-(3-acetylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphate
  • 86-08-8