Products 958871-82-4
CAS 958871-82-4 is the registry number for 3,6-Dimethylsalicylyl-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-hydroxy-3,6-dimethylbenzenecarbothioate (CAS 958871-82-4) is a chemical compound with the molecular formula C30H44N7O18P3S and a molecular weight of 915.7 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-hydroxy-3,6-dimethylbenzenecarbothioate. InChIKey: XXHQJSKGFLPFBX-NOQDIWQESA-N.
| Molecular formula | C30H44N7O18P3S |
|---|---|
| Molecular weight | 915.7 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-hydroxy-3,6-dimethylbenzenecarbothioate |
| InChIKey | XXHQJSKGFLPFBX-NOQDIWQESA-N |
| SMILES | CC1=C(C(=C(C=C1)C)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)O)O |
Computed by PubChem (NCBI)
Synonyms:
3,6-Dimethylsalicylyl-CoA, orb3022270