Chemical Compound

13131-49-2

CAS Registry Number 13131-49-2
13131-49-2 chemical structure
Primary Record

13131-49-2

In stock
589 g
Purity
98.4 %
CAS
13131-49-2

Compound Identifiers & Properties

CAS
13131-49-2
PubChem CID
165429872
SMILES
CC(C)(COP(=O)(O)OOOP(=O)(O)OOOC[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(=O)NCCC(=O)NCCOC=S)O
Canonical SMILES
CC(C)(COP(=O)(O)OOOP(=O)(O)OOOC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H](O)C(=O)NCCC(=O)NCCOC=S

Names & Synonyms

  • 13131-49-2
  • s-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl]me