3'-Hydroxy-depoxy HT-2 toxin
TL;DR: 3'-Hydroxy-depoxy HT-2 toxin (CAS 98896-86-7) is a chemical compound with molecular formula C22H32O8 and molecular weight 424.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,4S,7R,9S,10R,11S)-2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-en-4-yl] 3-hydroxy-3-methylbutanoate
Also Known As: 3'-Hydroxy-depoxy HT-2 toxin, Trichotheca-9,12-diene-3,4,8,15-tetrol, 15-acetate 8-(3-hydroxy-3-methylbutanoate), (3-alpha,4-beta,8-alpha)-, 15-(Acetyloxy)-3,4-dihydroxytrichotheca-9,12-dien-8-yl 3-hydroxy-3-methylbutanoate, 15-(Acetyloxy)-3alpha,4beta-dihydroxytrichotheca-9,12-dien-8alpha-yl 3-hydroxy-3-methylbutanoate, RefChem:1100345
| Molecular Formula | C22H32O8 |
|---|---|
| Molecular Weight | 424.21 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.20972 |
| Heavy Atoms | 30 |
| Complexity | 786.0 |
Chemical Identifiers
| CAS Number | 98896-86-7 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)(C)O)([C@]3([C@@H]([C@H]([C@H](C3=C)O2)O)O)C)COC(=O)C |
| InChIKey | MRFZUCMRWVLJLA-QWXFYZIHSA-N |
Product Overview
3'-Hydroxy-depoxy HT-2 toxin (CAS 98896-86-7), with molecular formula C22H32O8 and molecular weight 424.21 g/mol. IUPAC: [(1S,2R,4S,7R,9S,10R,11S)-2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-en-4-yl] 3-hydroxy-3-methylbutanoate.
Chemical Property Profile of 3'-Hydroxy-depoxy HT-2 toxin
Property Insights of 3'-Hydroxy-depoxy HT-2 toxin
The XLogP value of -0.4 indicates that 3'-Hydroxy-depoxy HT-2 toxin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Hydroxy-depoxy HT-2 toxin. Following Lipinski's Rule of Five, 3'-Hydroxy-depoxy HT-2 toxin has 3 hydrogen bond donor(s) and 8 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'-Hydroxy-depoxy HT-2 toxin?
The CAS number of 3'-Hydroxy-depoxy HT-2 toxin is 98896-86-7.
What is the molecular formula of 3'-Hydroxy-depoxy HT-2 toxin?
The molecular formula of 3'-Hydroxy-depoxy HT-2 toxin is C22H32O8.
What is the molecular weight of 3'-Hydroxy-depoxy HT-2 toxin?
The molecular weight of 3'-Hydroxy-depoxy HT-2 toxin is 424.21 g/mol.
Where can I buy 3'-Hydroxy-depoxy HT-2 toxin?
You can request a quote for 3'-Hydroxy-depoxy HT-2 toxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Hydroxy-depoxy HT-2 toxin?
Yes, KEHONG BIO provides custom synthesis services for 3'-Hydroxy-depoxy HT-2 toxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.