![Citronellyl-CoA; (Acyl-CoA); [M+H]+ structure](/static/products/711/711027-76-8.png)
Citronellyl-CoA; (Acyl-CoA); [M+H]+
TL;DR: Citronellyl-CoA; (Acyl-CoA); [M+H]+ (CAS 711027-76-8) is a chemical compound with molecular formula C31H52N7O17P3S and molecular weight 919.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[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]ethyl] 3,7-dimethyloct-6-enethioate
Also Known As: Citronellyl-CoA, c1031, Citronellyl-CoA; (Acyl-CoA); [M+H]+;
| Molecular Formula | C31H52N7O17P3S |
|---|---|
| Molecular Weight | 919.24 g/mol |
| LogP | 1.4373 |
| Topological Polar Surface Area | 363.63 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 24 |
| Exact Mass | 919.23535 |
| Heavy Atoms | 59 |
| Complexity | 1944.9689 |
Chemical Identifiers
| CAS Number | 711027-76-8 |
|---|---|
| SMILES | CC(CCC=C(C)C)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](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 |
Product Overview
Citronellyl-CoA; (Acyl-CoA); [M+H]+ (CAS 711027-76-8), with molecular formula C31H52N7O17P3S and molecular weight 919.24 g/mol. IUPAC: S-[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]ethyl] 3,7-dimethyloct-6-enethioate.
Chemical Property Profile of Citronellyl-CoA; (Acyl-CoA); [M+H]+
Property Insights of Citronellyl-CoA; (Acyl-CoA); [M+H]+
The XLogP value of 1.4373 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Citronellyl-CoA; (Acyl-CoA); [M+H]+. The TPSA of 363.63 Ų indicates high polarity, suggesting Citronellyl-CoA; (Acyl-CoA); [M+H]+ may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Citronellyl-CoA; (Acyl-CoA); [M+H]+ has 9 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Citronellyl-CoA; (Acyl-CoA); [M+H]+?
The CAS number of Citronellyl-CoA; (Acyl-CoA); [M+H]+ is 711027-76-8.
What is the molecular formula of Citronellyl-CoA; (Acyl-CoA); [M+H]+?
The molecular formula of Citronellyl-CoA; (Acyl-CoA); [M+H]+ is C31H52N7O17P3S.
What is the molecular weight of Citronellyl-CoA; (Acyl-CoA); [M+H]+?
The molecular weight of Citronellyl-CoA; (Acyl-CoA); [M+H]+ is 919.24 g/mol.
Where can I buy Citronellyl-CoA; (Acyl-CoA); [M+H]+?
You can request a quote for Citronellyl-CoA; (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 Citronellyl-CoA; (Acyl-CoA); [M+H]+?
Yes, KEHONG BIO provides custom synthesis services for Citronellyl-CoA; (Acyl-CoA); [M+H]+ and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.