Coenzyme A, S-(5-hydrogen 2-pentenedioate)
TL;DR: Coenzyme A, S-(5-hydrogen 2-pentenedioate) (CAS 6712-05-6) is a chemical compound with molecular formula C26H40N7O19P3S and molecular weight 879.1312 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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]-5-oxopent-3-enoic acid
Also Known As: glutaconyl-CoA, glutaconyl-coenzyme A, Coenzyme A, glutaconyl-, Glutaconyl coenzyme A, Coenzyme A, S-(5-hydrogen 2-pentenedioate)
Technical Specifications
| Molecular Formula | C26H40N7O19P3S |
| Molecular Weight | 879.1312 g/mol |
| XLogP | -5.7 |
| Topological Polar Surface Area (TPSA) | 426.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 23 |
| Exact Mass | 879.1312 Da |
| Heavy Atoms | 56 |
| Complexity | 1570.0 |
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C=CCC(=O)O)O |
| InChIKey | URTLOTISFJPPOU-UHFFFAOYSA-N |
Product Description
Applications: Coenzyme A, S-(5-hydrogen 2-pentenedioate) is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A fine chemical supplied by CoreyChem, Coenzyme A, S-(5-hydrogen 2-pentenedioate) (CAS 6712-05-6) has the molecular formula C26H40N7O19P3S and a molecular weight of 879.13 g/mol. Synonyms include glutaconyl-CoA and glutaconyl-coenzyme A.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Coenzyme A, S-(5-hydrogen 2-pentenedioate)
Property Insights of Coenzyme A, S-(5-hydrogen 2-pentenedioate)
The XLogP value of -5.7 indicates that Coenzyme A, S-(5-hydrogen 2-pentenedioate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 426.0 Ų indicates high polarity, suggesting Coenzyme A, S-(5-hydrogen 2-pentenedioate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Coenzyme A, S-(5-hydrogen 2-pentenedioate) has 10 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Coenzyme A, S-(5-hydrogen 2-pentenedioate)?
The CAS number of Coenzyme A, S-(5-hydrogen 2-pentenedioate) is 6712-05-6.
What is the molecular formula of Coenzyme A, S-(5-hydrogen 2-pentenedioate)?
The molecular formula of Coenzyme A, S-(5-hydrogen 2-pentenedioate) is C26H40N7O19P3S.
What is the molecular weight of Coenzyme A, S-(5-hydrogen 2-pentenedioate)?
The molecular weight of Coenzyme A, S-(5-hydrogen 2-pentenedioate) is 879.1312 g/mol.
What are the applications of Coenzyme A, S-(5-hydrogen 2-pentenedioate)?
Coenzyme A, S-(5-hydrogen 2-pentenedioate) is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation...
Where can I buy Coenzyme A, S-(5-hydrogen 2-pentenedioate)?
You can request a quote for Coenzyme A, S-(5-hydrogen 2-pentenedioate) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Coenzyme A, S-(5-hydrogen 2-pentenedioate)?
Yes, CoreyChem provides custom synthesis services for Coenzyme A, S-(5-hydrogen 2-pentenedioate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.