4-Hydroxy-12,13-epoxytrichothec-9-en-15-yl (dimethoxyphosphoryl)acetate
TL;DR: 4-Hydroxy-12,13-epoxytrichothec-9-en-15-yl (dimethoxyphosphoryl)acetate (CAS 84303-87-7) is a chemical compound with molecular formula C19H29O8P and molecular weight 416.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,7R,9R,11R)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 2-dimethoxyphosphorylacetate
Also Known As: 4-Hydroxy-12,13-epoxytrichothec-9-en-15-yl (dimethoxyphosphoryl)acetate, (12xi)-4beta-Hydroxy-12,13-epoxytrichothec-9-en-15-yl (dimethoxyphosphoryl)acetate, Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-((dimethoxyphosphinyl)acetate), (4beta)-
| Molecular Formula | C19H29O8P |
|---|---|
| Molecular Weight | 416.16 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.16 |
| Heavy Atoms | 28 |
| Complexity | 744.0 |
Chemical Identifiers
| CAS Number | 84303-87-7 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1)(C3([C@@H](C[C@H](C34CO4)O2)O)C)COC(=O)CP(=O)(OC)OC |
| InChIKey | FIDZDAPZGYDLAO-NQGPCOLGSA-N |
Product Overview
4-Hydroxy-12,13-epoxytrichothec-9-en-15-yl (dimethoxyphosphoryl)acetate (CAS 84303-87-7), with molecular formula C19H29O8P and molecular weight 416.16 g/mol. IUPAC: [(2R,7R,9R,11R)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 2-dimethoxyphosphorylacetate.
Chemical Property Profile of 4-Hydroxy-12,13-epoxytrichothec-9-en-15-yl (dimethoxyphosphoryl)acetate
Property Insights of 4-Hydroxy-12,13-epoxytrichothec-9-en-15-yl (dimethoxyphosphoryl)acetate
The XLogP value of -0.1 indicates that 4-Hydroxy-12,13-epoxytrichothec-9-en-15-yl (dimethoxyphosphoryl)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-12,13-epoxytrichothec-9-en-15-yl (dimethoxyphosphoryl)acetate. Following Lipinski's Rule of Five, 4-Hydroxy-12,13-epoxytrichothec-9-en-15-yl (dimethoxyphosphoryl)acetate has 1 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 4-Hydroxy-12,13-epoxytrichothec-9-en-15-yl (dimethoxyphosphoryl)acetate?
The CAS number of 4-Hydroxy-12,13-epoxytrichothec-9-en-15-yl (dimethoxyphosphoryl)acetate is 84303-87-7.
What is the molecular formula of 4-Hydroxy-12,13-epoxytrichothec-9-en-15-yl (dimethoxyphosphoryl)acetate?
The molecular formula of 4-Hydroxy-12,13-epoxytrichothec-9-en-15-yl (dimethoxyphosphoryl)acetate is C19H29O8P.
What is the molecular weight of 4-Hydroxy-12,13-epoxytrichothec-9-en-15-yl (dimethoxyphosphoryl)acetate?
The molecular weight of 4-Hydroxy-12,13-epoxytrichothec-9-en-15-yl (dimethoxyphosphoryl)acetate is 416.16 g/mol.
Where can I buy 4-Hydroxy-12,13-epoxytrichothec-9-en-15-yl (dimethoxyphosphoryl)acetate?
You can request a quote for 4-Hydroxy-12,13-epoxytrichothec-9-en-15-yl (dimethoxyphosphoryl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-12,13-epoxytrichothec-9-en-15-yl (dimethoxyphosphoryl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-12,13-epoxytrichothec-9-en-15-yl (dimethoxyphosphoryl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.