3,8,15-Trihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate
TL;DR: 3,8,15-Trihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate (CAS 76348-84-0) 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)-4,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate
Also Known As: NT-2 toxin, NT 2 Toxin, Toxin NT 2, 3,8,15-Trihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate, [(1S,2R,4S,7R,9R,10R,11S)-4,10-Dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-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 | 76348-84-0 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](C[C@@H]1O)([C@]3([C@@H]([C@H]([C@H](C34CO4)O2)O)OC(=O)C)C)CO |
| InChIKey | CSYVMZMEBKUDRQ-UETZSBHESA-N |
Product Overview
3,8,15-Trihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate (CAS 76348-84-0), with molecular formula C17H24O7 and molecular weight 340.15 g/mol. IUPAC: [(1S,2R,4S,7R,9R,10R,11S)-4,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate.
Chemical Property Profile of 3,8,15-Trihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate
Property Insights of 3,8,15-Trihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate
The XLogP value of -1.5 indicates that 3,8,15-Trihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate 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 3,8,15-Trihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate. Following Lipinski's Rule of Five, 3,8,15-Trihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate 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 3,8,15-Trihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate?
The CAS number of 3,8,15-Trihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate is 76348-84-0.
What is the molecular formula of 3,8,15-Trihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate?
The molecular formula of 3,8,15-Trihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate is C17H24O7.
What is the molecular weight of 3,8,15-Trihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate?
The molecular weight of 3,8,15-Trihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate is 340.15 g/mol.
Where can I buy 3,8,15-Trihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate?
You can request a quote for 3,8,15-Trihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,8,15-Trihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3,8,15-Trihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.