辅酶A,S-(5-氢-2-戊烯二酸酯)
TL;DR: 辅酶A,S-(5-氢-2-戊烯二酸酯) (CAS 6712-05-6) is a chemical compound with molecular formula C26H40N7O19P3S and molecular weight 879.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
辅酶A,S-(5-氢-2-戊烯二酸酯)
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)
| Molecular Formula | C26H40N7O19P3S |
|---|---|
| Molecular Weight | 879.13 g/mol |
| LogP | -5.7 |
| Topological Polar Surface Area | 426.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 23 |
| Exact Mass | 879.1312 |
| Heavy Atoms | 56 |
| Complexity | 1570.0 |
Chemical Identifiers
| CAS Number | 6712-05-6 |
|---|---|
| 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 Overview
辅酶A,S-(5-氢-2-戊烯二酸酯) (CAS 6712-05-6), with molecular formula C26H40N7O19P3S and molecular weight 879.13 g/mol. IUPAC: 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.
Chemical Property Profile of 辅酶A,S-(5-氢-2-戊烯二酸酯)
Property Insights of 辅酶A,S-(5-氢-2-戊烯二酸酯)
The XLogP value of -5.7 indicates that 辅酶A,S-(5-氢-2-戊烯二酸酯) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 426.0 Ų indicates high polarity, suggesting 辅酶A,S-(5-氢-2-戊烯二酸酯) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 辅酶A,S-(5-氢-2-戊烯二酸酯) has 10 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 辅酶A,S-(5-氢-2-戊烯二酸酯)?
The CAS number of 辅酶A,S-(5-氢-2-戊烯二酸酯) is 6712-05-6.
What is the molecular formula of 辅酶A,S-(5-氢-2-戊烯二酸酯)?
The molecular formula of 辅酶A,S-(5-氢-2-戊烯二酸酯) is C26H40N7O19P3S.
What is the molecular weight of 辅酶A,S-(5-氢-2-戊烯二酸酯)?
The molecular weight of 辅酶A,S-(5-氢-2-戊烯二酸酯) is 879.13 g/mol.
Where can I buy 辅酶A,S-(5-氢-2-戊烯二酸酯)?
You can request a quote for 辅酶A,S-(5-氢-2-戊烯二酸酯) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 辅酶A,S-(5-氢-2-戊烯二酸酯)?
Yes, KEHONG BIO provides custom synthesis services for 辅酶A,S-(5-氢-2-戊烯二酸酯) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.