Products 1379003-99-2
CAS 1379003-99-2 is the registry number for 5-Oxo-4,5-dihydrothiophene-2-carboxyl-CoA. Offered by: MedChemExpress. Available pack sizes: Get quote.
S-[2-[3-[[(2R)-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] 2-oxo-3H-thiophene-5-carbothioate (CAS 1379003-99-2) is a chemical compound with the molecular formula C26H38N7O18P3S2 and a molecular weight of 893.7 g/mol. IUPAC name: S-[2-[3-[[(2R)-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] 2-oxo-3H-thiophene-5-carbothioate. InChIKey: QYDJDIIVXSRXNI-ITIYDSSPSA-N.
| Molecular formula | C26H38N7O18P3S2 |
|---|---|
| Molecular weight | 893.7 g/mol |
| IUPAC name | S-[2-[3-[[(2R)-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] 2-oxo-3H-thiophene-5-carbothioate |
| InChIKey | QYDJDIIVXSRXNI-ITIYDSSPSA-N |
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OC[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)NCCSC(=O)C4=CCC(=O)S4)O |
Computed by PubChem (NCBI)
Synonyms:
orb3144368, c1105; (Acyl-CoA); [M+H]+;