Trichothec-9-ene-4,15,16-triol, 12,13-epoxy-, (4beta)-
TL;DR: Trichothec-9-ene-4,15,16-triol, 12,13-epoxy-, (4beta)- (CAS 102035-55-2) is a chemical compound with molecular formula C15H22O5 and molecular weight 282.14673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2R,7R,9R,11R)-2,5-bis(hydroxymethyl)-1-methylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-ol
Also Known As: 12,13-Epoxytrichothec-9-ene-4,15,16-triol, Trichothec-9-ene-4,15,16-triol, 12,13-epoxy-, (4beta)-, (12xi)-12,13-Epoxytrichothec-9-ene-4beta,15,16-triol
Technical Specifications
| Molecular Formula | C15H22O5 |
| Molecular Weight | 282.14673 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 82.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.14673 Da |
| Heavy Atoms | 20 |
| Complexity | 477.0 |
| SMILES | C[C@]12[C@@H](C[C@H](C13CO3)O[C@H]4[C@@]2(CCC(=C4)CO)CO)O |
| InChIKey | NZWPSGIGPVKXMC-SNOSIHCHSA-N |
Chemical Property Profile of Trichothec-9-ene-4,15,16-triol, 12,13-epoxy-, (4beta)-
Property Insights of Trichothec-9-ene-4,15,16-triol, 12,13-epoxy-, (4beta)-
The XLogP value of -1.2 indicates that Trichothec-9-ene-4,15,16-triol, 12,13-epoxy-, (4beta)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Trichothec-9-ene-4,15,16-triol, 12,13-epoxy-, (4beta)-. Following Lipinski's Rule of Five, Trichothec-9-ene-4,15,16-triol, 12,13-epoxy-, (4beta)- has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Trichothec-9-ene-4,15,16-triol, 12,13-epoxy-, (4beta)-?
The CAS number of Trichothec-9-ene-4,15,16-triol, 12,13-epoxy-, (4beta)- is 102035-55-2.
What is the molecular formula of Trichothec-9-ene-4,15,16-triol, 12,13-epoxy-, (4beta)-?
The molecular formula of Trichothec-9-ene-4,15,16-triol, 12,13-epoxy-, (4beta)- is C15H22O5.
What is the molecular weight of Trichothec-9-ene-4,15,16-triol, 12,13-epoxy-, (4beta)-?
The molecular weight of Trichothec-9-ene-4,15,16-triol, 12,13-epoxy-, (4beta)- is 282.14673 g/mol.
Where can I buy Trichothec-9-ene-4,15,16-triol, 12,13-epoxy-, (4beta)-?
You can request a quote for Trichothec-9-ene-4,15,16-triol, 12,13-epoxy-, (4beta)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trichothec-9-ene-4,15,16-triol, 12,13-epoxy-, (4beta)-?
Yes, CoreyChem provides custom synthesis services for Trichothec-9-ene-4,15,16-triol, 12,13-epoxy-, (4beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.