Account Coenzyme A, S-butanoate, monoSodium salt
- Catalog No. :
- ACFANC449
- CAS No. :
- 125527-24-4
- Molecular Formula :
- C25H41N7NaO17P3S
- Molecular Weight :
- 859.61
IUPAC Name:sodium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(((((((R)-3-(butyryloxy)-4-((3-((2-mercaptoethyl)amino)-3-oxopropyl)amino)-2,2-dimethyl-4-oxobutoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-4-hydroxytetrahydrofuran-3-yl hydrogen phosphate
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Product Information
| Product Name | Coenzyme A, S-butanoate, monoSodium salt |
|---|---|
| IUPAC Name | sodium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(((((((R)-3-(butyryloxy)-4-((3-((2-mercaptoethyl)amino)-3-oxopropyl)amino)-2,2-dimethyl-4-oxobutoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-4-hydroxytetrahydrofuran-3-yl hydrogen phosphate |
| Molecular Formula | C25H41N7NaO17P3S |
| Molecular Weight | 859.61 |
| SMILES | CCCC(=O)O[C@@H](C(=O)NCCC(=O)NCCS)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])O.[Na+] |
| InChI Key | DDMAMLVLCJGVOI-XXXNBSBMSA-M |
| Synonym | Butyryl Coenzyme A (sodium salt);S-butanoate coenzyme A, monosodium salt |
| CAS No. | 125527-24-4 |
Synthetic Route by SureRoute
2. ACFANC449 Molecular Building Block Synthetic Route
Coenzyme A trilithium salt
(((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-2-(((hydroxy((hydroxy((R)-3-hydroxy-2,2-dimethyl-3-((2-((2-sulfanylethyl)carbamoyl)ethyl)carbamoyl)propoxy)phosphoryl)oxy)phosphoryl)oxy)methyl)oxolan-3-yl)oxy)phosphonic acid
COenzyme A sodium salt