3-Acetyldeoxynivalenol
TL;DR: 3-Acetyldeoxynivalenol (CAS 50722-39-9) is a chemical compound with molecular formula C17H22O7 and molecular weight 338.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,3S,7R,9R,10R,12S)-3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate
Also Known As: 3-Acetyldeoxynivalenol, acetylDON, 3-Acetyl don, 3-acetyl-DON, 3-Acetyl-deoxynivalenol
| Molecular Formula | C17H22O7 |
|---|---|
| Molecular Weight | 338.14 g/mol |
| LogP | -0.2669 |
| Topological Polar Surface Area | 105.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.13657 |
| Heavy Atoms | 24 |
| Complexity | 651.3245 |
Chemical Identifiers
| CAS Number | 50722-39-9 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)C)CO |
Product Overview
3-Acetyldeoxynivalenol (CAS 50722-39-9), with molecular formula C17H22O7 and molecular weight 338.14 g/mol. IUPAC: [(1R,2R,3S,7R,9R,10R,12S)-3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate.
Chemical Property Profile of 3-Acetyldeoxynivalenol
Property Insights of 3-Acetyldeoxynivalenol
The XLogP value of -0.2669 indicates that 3-Acetyldeoxynivalenol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetyldeoxynivalenol. Following Lipinski's Rule of Five, 3-Acetyldeoxynivalenol has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Acetyldeoxynivalenol?
The CAS number of 3-Acetyldeoxynivalenol is 50722-39-9.
What is the molecular formula of 3-Acetyldeoxynivalenol?
The molecular formula of 3-Acetyldeoxynivalenol is C17H22O7.
What is the molecular weight of 3-Acetyldeoxynivalenol?
The molecular weight of 3-Acetyldeoxynivalenol is 338.14 g/mol.
Where can I buy 3-Acetyldeoxynivalenol?
You can request a quote for 3-Acetyldeoxynivalenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyldeoxynivalenol?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyldeoxynivalenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.