[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[3-[2-(2-hexanoylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid (CAS 5060-32-2) — formula C27H46N7O17P3S, molecular weight 865.7; category organic chemicals.
| CAS Number | 5060-32-2 |
|---|---|
| Molecular Formula | C27H46N7O17P3S |
| Molecular Weight | 865.7 |
| LogP | -3.7 |
| Category | Organic Chemicals |
[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[3-[2-(2-hexanoylsulfanylethylcarbamoyl)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 5060-32-2 and molecular formula C27H46N7O17P3S (molecular weight 865.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5060-32-2
Its molecular formula C27H46N7O17P3S comprises 27 C, 46 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-hexanoylsulfanylethylcarbamoyl)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15
Category: organic chemicals
The CAS registry number of [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[3-[2-(2-hexanoylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid is 5060-32-2.
Molecular formula C27H46N7O17P3S, molecular weight 865.7.
It is also registered under: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[3-[2-(2-hexanoylsulfanylethylcarbamoyl)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15.
Category: Organic Chemicals.
Independent reference data for [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[3-[2-(2-hexanoylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid (CAS 5060-32-2), compiled from public chemistry databases.
| CAS 号 | 5060-32-2 |
|---|---|
| PubChem CID | 449118 |
| 分子式 | C27H46N7O17P3S |
| 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] hexanethioate |
| UNII（FDA） | BDBM627980 |
| Molecular Weight | 865.7 |
|---|---|
| XLogP3 | -3.7 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 22 |
| Rotatable Bond Count | 24 |
| Exact Mass | 865.18837519 |
| Monoisotopic Mass | 865.18837519 |
| Topological Polar Surface Area | 389 |
| Heavy Atom Count | 55 |
Hexanoyl-CoA; hexanoyl-coenzyme a; caproyl-CoA; Coenzyme A, S-hexanoate; n-hexanoyl-CoA; 5060-32-2; caproyl-coenzyme A; S-hexanoyl-CoA; Coenzyme A, hexanoyl-; n-hexanoyl-coenzyme A; S-hexanoyl-coenzyme-A; S-Hexanoyl-coenzym-A; CHEBI:27540; RefChem:787427; Hexanoyl coenzyme A; Caproyl coenzyme A
辅酶A杂质15 · CAS 5060-32-2 · C27H46N7O17P3S. UNII BDBM627980.
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15