Products 96448-59-8
CAS 96448-59-8 is the registry number for 2-Octynoyl-CoA. Offered by: MedChemExpress. Available pack sizes: Get quote.
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] oct-2-ynethioate (CAS 96448-59-8) is a chemical compound with the molecular formula C29H46N7O17P3S and a molecular weight of 889.7 g/mol. IUPAC name: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] oct-2-ynethioate. InChIKey: JPHVSRAAJZRNIM-UHFFFAOYSA-N.
| Molecular formula | C29H46N7O17P3S |
|---|---|
| Molecular weight | 889.7 g/mol |
| IUPAC name | S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] oct-2-ynethioate |
| InChIKey | JPHVSRAAJZRNIM-UHFFFAOYSA-N |
| SMILES | CCCCCC#CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O |
Computed by PubChem (NCBI)