Chemical Compound

Ara-F-NAD+

CAS Registry Number 133575-27-6
Ara-F-NAD+ chemical structure
Primary Record

Ara-F-NAD+

In stock
4,803 g
Purity
99.5 %
CAS
133575-27-6

Compound Identifiers & Properties

CAS
133575-27-6
PubChem CID
44240330
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)F)C(=O)N
Canonical SMILES
NC(=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]2F)c1

Names & Synonyms

  • Ara-F-NAD+
  • orb1691813
  • AKOS040756650
  • 133575-27-6
  • [[(2~{R},3~{R},4~{S},5~{R})-5-(3-aminocarbonylpyridin-1-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
  • [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl phosphate