Products 96212-36-1
CAS 96212-36-1 is the registry number for S-(3-Chloropropanoate-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] 3-chloropropanethioate (CAS 96212-36-1) is a chemical compound with the molecular formula C24H39ClN7O17P3S and a molecular weight of 858.0 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] 3-chloropropanethioate. InChIKey: LBJZPAYTKZKLLL-UHFFFAOYSA-N.
| Molecular formula | C24H39ClN7O17P3S |
|---|---|
| Molecular weight | 858.0 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] 3-chloropropanethioate |
| InChIKey | LBJZPAYTKZKLLL-UHFFFAOYSA-N |
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CCCl)O |
Computed by PubChem (NCBI)