![Citryl-Thioether-Coenzyme A; (Acyl-CoA); [M+H]+ structure](/static/products/7284/72845-19-3.webp)
Citryl-Thioether-Coenzyme A; (Acyl-CoA); [M+H]+
TL;DR: Citryl-Thioether-Coenzyme A; (Acyl-CoA); [M+H]+ (CAS 72845-19-3) is a chemical compound with molecular formula C27H44N7O21P3S and molecular weight 927.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[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]ethyl]-2-hydroxybutanedioic acid
Also Known As: Citryl-Thioether-Coenzyme A, Citryl-Thioether-Coenzyme A; (Acyl-CoA); [M+H]+;, 2-[2-[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]ethyl]-2-hydroxybutanedioic acid
| Molecular Formula | C27H44N7O21P3S |
|---|---|
| Molecular Weight | 927.15 g/mol |
| LogP | -2.1814 |
| Topological Polar Surface Area | 441.39 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 25 |
| Exact Mass | 927.1524 |
| Heavy Atoms | 59 |
| Complexity | 1970.4861 |
Chemical Identifiers
| CAS Number | 72845-19-3 |
|---|---|
| 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)NCCSCCC(CC(=O)O)(C(=O)O)O)O |
Product Overview
Citryl-Thioether-Coenzyme A; (Acyl-CoA); [M+H]+ (CAS 72845-19-3), with molecular formula C27H44N7O21P3S and molecular weight 927.15 g/mol. IUPAC: 2-[2-[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]ethyl]-2-hydroxybutanedioic acid.
Chemical Property Profile of Citryl-Thioether-Coenzyme A; (Acyl-CoA); [M+H]+
Property Insights of Citryl-Thioether-Coenzyme A; (Acyl-CoA); [M+H]+
The XLogP value of -2.1814 indicates that Citryl-Thioether-Coenzyme A; (Acyl-CoA); [M+H]+ is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 441.39 Ų indicates high polarity, suggesting Citryl-Thioether-Coenzyme A; (Acyl-CoA); [M+H]+ may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Citryl-Thioether-Coenzyme A; (Acyl-CoA); [M+H]+ has 12 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Citryl-Thioether-Coenzyme A; (Acyl-CoA); [M+H]+?
The CAS number of Citryl-Thioether-Coenzyme A; (Acyl-CoA); [M+H]+ is 72845-19-3.
What is the molecular formula of Citryl-Thioether-Coenzyme A; (Acyl-CoA); [M+H]+?
The molecular formula of Citryl-Thioether-Coenzyme A; (Acyl-CoA); [M+H]+ is C27H44N7O21P3S.
What is the molecular weight of Citryl-Thioether-Coenzyme A; (Acyl-CoA); [M+H]+?
The molecular weight of Citryl-Thioether-Coenzyme A; (Acyl-CoA); [M+H]+ is 927.15 g/mol.
Where can I buy Citryl-Thioether-Coenzyme A; (Acyl-CoA); [M+H]+?
You can request a quote for Citryl-Thioether-Coenzyme A; (Acyl-CoA); [M+H]+ directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Citryl-Thioether-Coenzyme A; (Acyl-CoA); [M+H]+?
Yes, KEHONG BIO provides custom synthesis services for Citryl-Thioether-Coenzyme A; (Acyl-CoA); [M+H]+ and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.