Chemical Compound

DTXSID80978197

CAS Registry Number 62640-02-2
DTXSID80978197 chemical structure
Primary Record

DTXSID80978197

In stock
8,093 g
Purity
99.1 %
CAS
62640-02-2

Compound Identifiers & Properties

CAS
62640-02-2
PubChem CID
138400356
SMILES
C1=CC(=C[N+](=C1)[C@H]2[C@H](C([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3C4[C@@H]([C@@H](O3)N5C=NC6=C(N=CN=C65)N)OP(=O)(O4)[O-])O)O)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]4OP(=O)([O-])OC34)C(O)[C@@H]2O)c1

Names & Synonyms

  • DTXSID80978197
  • 1-{(3xi)-5-O-[{[{[(4R,6R,6aS)-6-(6-Amino-9H-purin-9-yl)-2-oxido-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-beta-D-threo-pentofuranosyl}-3-[hydroxy(imino)methyl]pyridin-1-ium
  • 1-{5-O-[{[{[6-(6-Amino-9H-purin-9-yl)-2-oxido-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-3-[hydroxy(imino)methyl]pyridin-1-ium
  • 62640-02-2