Acetyl-Coenzyme A
TL;DR: Acetyl-Coenzyme A (CAS 102029-73-2) is a chemical compound with molecular formula C23H38N7O17P3S and molecular weight 809.1258 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-[2-[3-[[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] ethanethioate
Also Known As: Acetyl-Coenzyme A, Acetyl CoA, acetylcoenzyme-A, acetyl-CoA, ACETYL COENZYME A
Technical Specifications
| Molecular Formula | C23H38N7O17P3S |
| Molecular Weight | 809.1258 g/mol |
| XLogP | -5.6 |
| Topological Polar Surface Area (TPSA) | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 20 |
| Exact Mass | 809.1258 Da |
| Heavy Atoms | 51 |
| Complexity | 1380.0 |
| SMILES | CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O |
| InChIKey | ZSLZBFCDCINBPY-KMYLAXNMSA-N |
Chemical Property Profile of Acetyl-Coenzyme A
Property Insights of Acetyl-Coenzyme A
The XLogP value of -5.6 indicates that Acetyl-Coenzyme A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.0 Ų indicates high polarity, suggesting Acetyl-Coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetyl-Coenzyme A has 9 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Acetyl-Coenzyme A?
The CAS number of Acetyl-Coenzyme A is 102029-73-2.
What is the molecular formula of Acetyl-Coenzyme A?
The molecular formula of Acetyl-Coenzyme A is C23H38N7O17P3S.
What is the molecular weight of Acetyl-Coenzyme A?
The molecular weight of Acetyl-Coenzyme A is 809.1258 g/mol.
Where can I buy Acetyl-Coenzyme A?
You can request a quote for Acetyl-Coenzyme A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetyl-Coenzyme A?
Yes, CoreyChem provides custom synthesis services for Acetyl-Coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.