2-octynoyl-coenzyme A (CAS 96448-59-8) — formula C29H46N7O17P3S, molecular weight 889.7.
2-octynoyl-coenzyme A (CAS 96448-59-8) is classified under Food Additives, with molecular formula C29H46N7O17P3S and molecular weight 889.7, 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 2-octynoyl-coenzyme A at commercial scale with stable lot-to-lot quality, accompanied by COA and full specification documentation. Typical categorization: Food Additives.
| CAS Number | 96448-59-8 |
|---|---|
| Molecular Formula | C29H46N7O17P3S |
| Molecular Weight | 889.7 |
| LogP | -2.6 |
2-octynoyl-coenzyme A is a chemical compound with CAS registry number 96448-59-8 and molecular formula C29H46N7O17P3S (molecular weight 889.7).
CAS number: 96448-59-8
Its molecular formula C29H46N7O17P3S comprises 29 C, 46 H, 7 N, 17 O, 3 P, 1 S atoms.
Also known as: 2-octynoyl-coenzyme A · 2-辛酰辅酶A
The CAS registry number of 2-octynoyl-coenzyme A is 96448-59-8.
Molecular formula C29H46N7O17P3S, molecular weight 889.7.
It is also registered under: 2-octynoyl-coenzyme A, 2-辛酰辅酶A.
Independent reference data for 2-octynoyl-coenzyme A (CAS 96448-59-8), compiled from public chemistry databases.
| CAS 号 | 96448-59-8 |
|---|---|
| PubChem CID | 125964 |
| 分子式 | C29H46N7O17P3S |
| IUPAC 名称 | 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] oct-2-ynethioate |
| Molecular Weight | 889.7 |
|---|---|
| XLogP3 | -2.6 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 22 |
| Rotatable Bond Count | 23 |
| Exact Mass | 889.18837519 |
| Monoisotopic Mass | 889.18837519 |
| Topological Polar Surface Area | 389 |
| Heavy Atom Count | 57 |
Coenzyme A, 2-octynoyl-; 2-Octynoyl-coa; 96448-59-8; 2-Octynoyl-coenzyme A; RefChem:910166; Coenzyme A, S-2-octynoate; DTXSID10914503; 2-Octynoyl-CoA; (Acyl-CoA); [M+H]+;
2-辛酰辅酶A · CAS 96448-59-8 · C29H46N7O17P3S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-辛酰辅酶A