[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 (CAS 2871-66-1) — formula C25H42N7O18P3S, molecular weight 853.6; category organic chemicals.
| CAS Number | 2871-66-1 |
|---|---|
| Molecular Formula | C25H42N7O18P3S |
| Molecular Weight | 853.6 |
| LogP | -5.9 |
| Category | Organic Chemicals |
[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 is a carbon-based organic compound with CAS registry number 2871-66-1 and molecular formula C25H42N7O18P3S (molecular weight 853.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2871-66-1
Its molecular formula C25H42N7O18P3S comprises 25 C, 42 H, 7 N, 18 O, 3 P, 1 S atoms.
Also known as: [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
Category: organic chemicals
The CAS registry number of [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 is 2871-66-1.
Molecular formula C25H42N7O18P3S, molecular weight 853.6.
It is also registered under: [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.
Category: Organic Chemicals.
Independent reference data for [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 (CAS 2871-66-1), compiled from public chemistry databases.
| 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 化合物 3-Hydroxybutyryl-CoA