Vomitoxin, triacetoxy deriv.
TL;DR: Vomitoxin, triacetoxy deriv. (CAS 51550-28-8) is a chemical compound with molecular formula C21H26O9 and molecular weight 422.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,10-diacetyloxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate
Also Known As: Triacetyldeoxynivalenol, Vomitoxin, triacetoxy deriv., VOMITOXIN, TRIACETOXY DERIV, 8-Oxo-12,13-epoxytrichothec-9-ene-3,7,15-triyl triacetate
| Molecular Formula | C21H26O9 |
|---|---|
| Molecular Weight | 422.16 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.15768 |
| Heavy Atoms | 30 |
| Complexity | 863.0 |
Chemical Identifiers
| CAS Number | 51550-28-8 |
|---|---|
| SMILES | CC1=CC2C(C(C1=O)OC(=O)C)(C3(CC(C(C34CO4)O2)OC(=O)C)C)COC(=O)C |
| InChIKey | FUPMDISLTMETBI-UHFFFAOYSA-N |
Product Overview
Vomitoxin, triacetoxy deriv. (CAS 51550-28-8), with molecular formula C21H26O9 and molecular weight 422.16 g/mol. IUPAC: (3,10-diacetyloxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate.
Chemical Property Profile of Vomitoxin, triacetoxy deriv.
Property Insights of Vomitoxin, triacetoxy deriv.
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vomitoxin, triacetoxy deriv.. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Vomitoxin, triacetoxy deriv.. Following Lipinski's Rule of Five, Vomitoxin, triacetoxy deriv. has 0 hydrogen bond donor(s) and 9 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 Vomitoxin, triacetoxy deriv.?
The CAS number of Vomitoxin, triacetoxy deriv. is 51550-28-8.
What is the molecular formula of Vomitoxin, triacetoxy deriv.?
The molecular formula of Vomitoxin, triacetoxy deriv. is C21H26O9.
What is the molecular weight of Vomitoxin, triacetoxy deriv.?
The molecular weight of Vomitoxin, triacetoxy deriv. is 422.16 g/mol.
Where can I buy Vomitoxin, triacetoxy deriv.?
You can request a quote for Vomitoxin, triacetoxy deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vomitoxin, triacetoxy deriv.?
Yes, KEHONG BIO provides custom synthesis services for Vomitoxin, triacetoxy deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.