化合物 3-Hydroxybutyryl-CoA（CAS 2871-66-1）：分子式 C25H42N7O18P3S、分子量 853.6。
| CAS号 | 2871-66-1 |
|---|---|
| 分子式 | C25H42N7O18P3S |
| 分子量 | 853.6 |
| LogP | -5.9 |
化合物 3-Hydroxybutyryl-CoA 是一种化工化合物，登记 CAS 号为 2871-66-1，分子式 C25H42N7O18P3S（分子量 853.6）。
登记 CAS 号：2871-66-1
其分子式 C25H42N7O18P3S 由 25 个碳、42 个氢、7 个氮、18 个氧、3 个磷、1 个硫 组成。
别名/同义词：化合物 3-Hydroxybutyryl-CoA · [5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-3-[2-[2-(3-hydroxybutanoylsulfanyl)ethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]-phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid
化合物 3-Hydroxybutyryl-CoA 的 CAS 登记号为 2871-66-1。
分子式 C25H42N7O18P3S，分子量 853.6。
别名/同义词：化合物 3-Hydroxybutyryl-CoA、[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-3-[2-[2-(3-hydroxybutanoylsulfanyl)ethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]-phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid。
化合物 3-Hydroxybutyryl-CoA（CAS 2871-66-1）的独立参考数据，整理自公开化学数据库。
| CAS 号 | 2871-66-1 |
|---|---|
| PubChem CID | 644065 |
| 分子式 | C25H42N7O18P3S |
| IUPAC 名称 | 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] 3-hydroxybutanethioate |
| UNII（FDA） | NS00124668 |
| Molecular Weight | 853.6 |
|---|---|
| XLogP3 | -5.9 |
| Hydrogen Bond Donor Count | 10 |
| Hydrogen Bond Acceptor Count | 23 |
| Rotatable Bond Count | 22 |
| Exact Mass | 853.15198968 |
| Monoisotopic Mass | 853.15198968 |
| Topological Polar Surface Area | 409 |
| Heavy Atom Count | 54 |
3-hydroxybutyryl-CoA; 3-Hydroxybutyryl-coenzyme A; beta-hydroxybutyryl-CoA; 2871-66-1; 3-hydroxybutanoyl-CoA; beta-Hydroxybutyryl-coenzyme A; Coenzyme A, 3-hydroxybutyryl-; S-(3-hydroxybutyryl)-CoA; S-(3-hydroxybutanoyl)-CoA; S-(3-hydroxybutyryl)-coenzyme A; S-(3-hydroxybutanoyl)-coenzyme A; CHEBI:37050; RefChem:94267; Coenzyme A, S-(3-hydroxybutanoate); 3-hydroxybutanoyl-coenzyme a; CoA 4:0;O
化合物 3-Hydroxybutyryl-CoA · CAS 2871-66-1 · C25H42N7O18P3S. UNII NS00124668.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。