5-[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]ethylsulfanyl]-3-methyl-5-oxopent-3-enoic acid (CAS 6247-73-0) — formula C27H42N7O19P3S, molecular weight 893.6; category organic chemicals.
| CAS Number | 6247-73-0 |
|---|---|
| Molecular Formula | C27H42N7O19P3S |
| Molecular Weight | 893.6 |
| LogP | -5.1 |
| Category | Organic Chemicals |
5-[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]ethylsulfanyl]-3-methyl-5-oxopent-3-enoic acid is a carbon-based organic compound with CAS registry number 6247-73-0 and molecular formula C27H42N7O19P3S (molecular weight 893.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6247-73-0
Its molecular formula C27H42N7O19P3S comprises 27 C, 42 H, 7 N, 19 O, 3 P, 1 S atoms.
Also known as: 5-[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]ethylsulfanyl]-3-methyl-5-oxopent-3-enoic acid · 3-甲基戊二酰辅酶A
Category: organic chemicals
The CAS registry number of 5-[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]ethylsulfanyl]-3-methyl-5-oxopent-3-enoic acid is 6247-73-0.
Molecular formula C27H42N7O19P3S, molecular weight 893.6.
It is also registered under: 5-[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]ethylsulfanyl]-3-methyl-5-oxopent-3-enoic acid, 3-甲基戊二酰辅酶A.
Category: Organic Chemicals.
Independent reference data for 5-[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]ethylsulfanyl]-3-methyl-5-oxopent-3-enoic acid (CAS 6247-73-0), compiled from public chemistry databases.
| CAS 号 | 6247-73-0 |
|---|---|
| PubChem CID | 11966117 |
| 分子式 | C27H42N7O19P3S |
| IUPAC 名称 | (E)-5-[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]ethylsulfanyl]-3-methyl-5-oxopent-2-enoic acid |
| Molecular Weight | 893.6 |
|---|---|
| XLogP3 | -5.1 |
| Hydrogen Bond Donor Count | 10 |
| Hydrogen Bond Acceptor Count | 24 |
| Rotatable Bond Count | 23 |
| Exact Mass | 893.14690430 |
| Monoisotopic Mass | 893.14690430 |
| Topological Polar Surface Area | 426 |
| Heavy Atom Count | 57 |
trans-3-methylglutaconyl-CoA; 3-Methylglutaconyl-Coenzyme A; CHEBI:15488; trans-3-methylglutaconyl-Coenzyme A; CHEBI:15488; (Acyl-CoA); [M+H]+;; Q27089472
3-甲基戊二酰辅酶A · CAS 6247-73-0 · C27H42N7O19P3S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-甲基戊二酰辅酶A