[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[3-[2-(2-benzoylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid (CAS 6756-74-7) — formula C28H40N7O17P3S, molecular weight 871.6; category organic chemicals.
| CAS Number | 6756-74-7 |
|---|---|
| Molecular Formula | C28H40N7O17P3S |
| Molecular Weight | 871.6 |
| LogP | -4 |
| Category | Organic Chemicals |
[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[3-[2-(2-benzoylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid is a carbon-based organic compound with CAS registry number 6756-74-7 and molecular formula C28H40N7O17P3S (molecular weight 871.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6756-74-7
Its molecular formula C28H40N7O17P3S comprises 28 C, 40 H, 7 N, 17 O, 3 P, 1 S atoms.
Also known as: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[3-[2-(2-benzoylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid · 辅酶A杂质18
Category: organic chemicals
The CAS registry number of [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[3-[2-(2-benzoylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid is 6756-74-7.
Molecular formula C28H40N7O17P3S, molecular weight 871.6.
It is also registered under: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[3-[2-(2-benzoylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid, 辅酶A杂质18.
Category: Organic Chemicals.
Independent reference data for [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[3-[2-(2-benzoylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid (CAS 6756-74-7), compiled from public chemistry databases.
| CAS 号 | 6756-74-7 |
|---|---|
| PubChem CID | 122174 |
| 分子式 | C28H40N7O17P3S |
| IUPAC 名称 | S-[2-[3-[[(2R)-4-[[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] benzenecarbothioate |
| UNII（FDA） | 94E93R5B3D |
| Molecular Weight | 871.6 |
|---|---|
| XLogP3 | -4 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 22 |
| Rotatable Bond Count | 21 |
| Exact Mass | 871.14142500 |
| Monoisotopic Mass | 871.14142500 |
| Topological Polar Surface Area | 389 |
| Heavy Atom Count | 56 |
benzoyl-coenzyme A; Coenzyme A, benzoyl-; RefChem:916970; 94E93R5B3D; UNII-94E93R5B3D; Benzoyl-CoA; (Acyl-CoA); [M+H]+;; Benzoic acid, thio-, S-ester with coenzyme A
辅酶A杂质18 · CAS 6756-74-7 · C28H40N7O17P3S. UNII 94E93R5B3D.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 辅酶A杂质18