乙酰辅酶A
TL;DR: 乙酰辅酶A (CAS 72-89-9) is a chemical compound with molecular formula C23H38N7O17P3S and molecular weight 809.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酰辅酶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] ethanethioate
Also Known As: Acetyl CoA, acetyl-CoA, acetylcoenzyme-A, Acetyl-CoenzymeA, S-acetylcoenzym A
| Molecular Formula | C23H38N7O17P3S |
|---|---|
| Molecular Weight | 809.13 g/mol |
| LogP | -5.6 |
| Topological Polar Surface Area | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 20 |
| Exact Mass | 809.1258 |
| Heavy Atoms | 51 |
| Complexity | 1380.0 |
Chemical Identifiers
| CAS Number | 72-89-9 |
|---|---|
| SMILES | CC(=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 | ZSLZBFCDCINBPY-UHFFFAOYSA-N |
Product Overview
乙酰辅酶A (CAS 72-89-9), with molecular formula C23H38N7O17P3S and molecular weight 809.13 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] ethanethioate.
Chemical Property Profile of 乙酰辅酶A
Property Insights of 乙酰辅酶A
The XLogP value of -5.6 indicates that 乙酰辅酶A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.0 Ų indicates high polarity, suggesting 乙酰辅酶A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 乙酰辅酶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 乙酰辅酶A?
The CAS number of 乙酰辅酶A is 72-89-9.
What is the molecular formula of 乙酰辅酶A?
The molecular formula of 乙酰辅酶A is C23H38N7O17P3S.
What is the molecular weight of 乙酰辅酶A?
The molecular weight of 乙酰辅酶A is 809.13 g/mol.
Where can I buy 乙酰辅酶A?
You can request a quote for 乙酰辅酶A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酰辅酶A?
Yes, KEHONG BIO provides custom synthesis services for 乙酰辅酶A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.