8-Acetyltoxin T 2-tetraol
TL;DR: 8-Acetyltoxin T 2-tetraol (CAS 94099-58-8) is a chemical compound with molecular formula C17H24O7 and molecular weight 340.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,4S,7R,9R,10R,11S)-10,11-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] acetate
Also Known As: 8-Acetyltoxin T 2-tetraol, 8-Acetyl-T-2-tetraol, 8-Acetyl-4,15-dideacetyl-8-de(3-methylbutyryl)-T 2 toxin, (12xi)-3beta,4alpha,15-Trihydroxy-12,13-epoxytrichothec-9-en-8alpha-yl acetate
| Molecular Formula | C17H24O7 |
|---|---|
| Molecular Weight | 340.15 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.1522 |
| Heavy Atoms | 24 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 94099-58-8 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)C)([C@]3([C@@H]([C@H]([C@H](C34CO4)O2)O)O)C)CO |
| InChIKey | JEDSAONQRSEAMA-UETZSBHESA-N |
Product Overview
8-Acetyltoxin T 2-tetraol (CAS 94099-58-8), with molecular formula C17H24O7 and molecular weight 340.15 g/mol. IUPAC: [(1S,2R,4S,7R,9R,10R,11S)-10,11-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] acetate.
Chemical Property Profile of 8-Acetyltoxin T 2-tetraol
Property Insights of 8-Acetyltoxin T 2-tetraol
The XLogP value of -1.5 indicates that 8-Acetyltoxin T 2-tetraol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Acetyltoxin T 2-tetraol. Following Lipinski's Rule of Five, 8-Acetyltoxin T 2-tetraol has 3 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 8-Acetyltoxin T 2-tetraol?
The CAS number of 8-Acetyltoxin T 2-tetraol is 94099-58-8.
What is the molecular formula of 8-Acetyltoxin T 2-tetraol?
The molecular formula of 8-Acetyltoxin T 2-tetraol is C17H24O7.
What is the molecular weight of 8-Acetyltoxin T 2-tetraol?
The molecular weight of 8-Acetyltoxin T 2-tetraol is 340.15 g/mol.
Where can I buy 8-Acetyltoxin T 2-tetraol?
You can request a quote for 8-Acetyltoxin T 2-tetraol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Acetyltoxin T 2-tetraol?
Yes, KEHONG BIO provides custom synthesis services for 8-Acetyltoxin T 2-tetraol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.