油酰辅酶A
TL;DR: 油酰辅酶A (CAS 1716-06-9) is a chemical compound with molecular formula C39H68N7O17P3S and molecular weight 1031.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
油酰辅酶A
S-[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]ethyl] octadec-9-enethioate
Also Known As: Oleoyl coenzyme A, Oleyl-CoA, oleoyl-CoA, Oleoyl-coenzyme A, Oleoyl coenzyme A potassium salt
| Molecular Formula | C39H68N7O17P3S |
|---|---|
| Molecular Weight | 1031.36 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 35 |
| Exact Mass | 1031.3605 |
| Heavy Atoms | 67 |
| Complexity | 1700.0 |
Chemical Identifiers
| CAS Number | 1716-06-9 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O |
| InChIKey | XDUHQPOXLUAVEE-UHFFFAOYSA-N |
Product Overview
油酰辅酶A (CAS 1716-06-9), with molecular formula C39H68N7O17P3S and molecular weight 1031.36 g/mol. IUPAC: S-[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]ethyl] octadec-9-enethioate.
Chemical Property Profile of 油酰辅酶A
Property Insights of 油酰辅酶A
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 油酰辅酶A. The TPSA of 389.0 Ų indicates high polarity, suggesting 油酰辅酶A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 油酰辅酶A has 9 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 油酰辅酶A?
The CAS number of 油酰辅酶A is 1716-06-9.
What is the molecular formula of 油酰辅酶A?
The molecular formula of 油酰辅酶A is C39H68N7O17P3S.
What is the molecular weight of 油酰辅酶A?
The molecular weight of 油酰辅酶A is 1031.36 g/mol.
Where can I buy 油酰辅酶A?
You can request a quote for 油酰辅酶A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 油酰辅酶A?
Yes, KEHONG BIO provides custom synthesis services for 油酰辅酶A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.