Acetyldeoxynivalenol
TL;DR: Acetyldeoxynivalenol (CAS 54648-10-1) 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)-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: Acetyldeoxynivalenol, 3-Acetyldeoxynivalenol, 12,13-Epoxy-3alpha,7alpha,15-trihydroxytrichothec-9-en-8-one monoacetate, I14-49671, Trichothec-9-en-8-one, 12,13-epoxy-3,7,15-trihydroxy-, monoacetate, (3alpha,7alpha)-
| 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 | 54648-10-1 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H](C34CO4)O2)OC(=O)C)C)CO |
Product Overview
Acetyldeoxynivalenol (CAS 54648-10-1), with molecular formula C17H22O7 and molecular weight 338.14 g/mol. IUPAC: [(1R,2R,3S,7R,9R,10R)-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 Acetyldeoxynivalenol
Property Insights of Acetyldeoxynivalenol
The XLogP value of -0.2669 indicates that 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 Acetyldeoxynivalenol. Following Lipinski's Rule of Five, 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 Acetyldeoxynivalenol?
The CAS number of Acetyldeoxynivalenol is 54648-10-1.
What is the molecular formula of Acetyldeoxynivalenol?
The molecular formula of Acetyldeoxynivalenol is C17H22O7.
What is the molecular weight of Acetyldeoxynivalenol?
The molecular weight of Acetyldeoxynivalenol is 338.14 g/mol.
Where can I buy Acetyldeoxynivalenol?
You can request a quote for Acetyldeoxynivalenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyldeoxynivalenol?
Yes, KEHONG BIO provides custom synthesis services for Acetyldeoxynivalenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.