S-(3-oxobutyl)coenzyme A (CAS 81790-81-0) — formula C25H42N7O17P3S, molecular weight 837.6.
S-(3-oxobutyl)coenzyme A (CAS 81790-81-0) is classified under Food Additives, with molecular formula C25H42N7O17P3S and molecular weight 837.6, and serves as a key raw material in the food and beverage industry — commonly applied as a food additive, nutritional supplement, or processing aid where regulatory-grade purity is required. Jinan Shenghe Chemical Co., Ltd. supplies S-(3-oxobutyl)coenzyme A at commercial scale with stable lot-to-lot quality, accompanied by COA and full specification documentation. Typical categorization: Food Additives.
| CAS Number | 81790-81-0 |
|---|---|
| Molecular Formula | C25H42N7O17P3S |
| Molecular Weight | 837.6 |
| LogP | -5.7 |
S-(3-oxobutyl)coenzyme A is a chemical compound with CAS registry number 81790-81-0 and molecular formula C25H42N7O17P3S (molecular weight 837.6).
CAS number: 81790-81-0
Its molecular formula C25H42N7O17P3S comprises 25 C, 42 H, 7 N, 17 O, 3 P, 1 S atoms.
Also known as: S-(3-oxobutyl)coenzyme A · S-(3-氧代丁基)辅酶A
The CAS registry number of S-(3-oxobutyl)coenzyme A is 81790-81-0.
Molecular formula C25H42N7O17P3S, molecular weight 837.6.
It is also registered under: S-(3-oxobutyl)coenzyme A, S-(3-氧代丁基)辅酶A.
Independent reference data for S-(3-oxobutyl)coenzyme A (CAS 81790-81-0), compiled from public chemistry databases.
| CAS 号 | 81790-81-0 |
|---|---|
| PubChem CID | 196206 |
| 分子式 | C25H42N7O17P3S |
| IUPAC 名称 | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxobutylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate |
| Molecular Weight | 837.6 |
|---|---|
| XLogP3 | -5.7 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 22 |
| Rotatable Bond Count | 22 |
| Exact Mass | 837.15707506 |
| Monoisotopic Mass | 837.15707506 |
| Topological Polar Surface Area | 389 |
| Heavy Atom Count | 53 |
Coenzyme A, S-(3-oxobutyl); S-(3-Oxobutyl)coa; 81790-81-0; S-(3-Oxobutyl)coenzyme A; Coenzyme A, S-(3-oxobutyl)-; RefChem:931063; orb3144577; SCHEMBL2110074; DTXSID301002226; TYD-03920; S-(3-Oxobutyl)CoA; (Acyl-CoA); [M+H]+;
S-(3-氧代丁基)辅酶A · CAS 81790-81-0 · C25H42N7O17P3S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: S-(3-氧代丁基)辅酶A