[(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 (E)-5-(2-dimethoxyphosphorylacetyl)oxy-3-methylpent-2-enoate
Basic information
- CAS
84303-84-4- Standard SMILES
COP(=O)(CC(=O)OCC/C(C)=C/C(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1C[C@@H](O)C2(C)C12CO2)OC- InChIKey
NFHVNQGMQXLIMA-TZFWWHOJSA-N- Molecular formula
- C25H37O10P
- Average molar mass
- 528.5 g/mol
- Monoisotopic mass
- 528.21243437
Names & identifiers
- Preferred name
- [(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 (E)-5-(2-dimethoxyphosphorylacetyl)oxy-3-methylpent-2-enoate
- 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 (E)-5-(2-dimethoxyphosphorylacetyl)oxy-3-methylpent-2-enoate
Names & synonyms
84303-84-4Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-(((dimethoxyphosphinyl)acetyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E))-
Database identifiers
- CAS
84303-84-4- PubChem CID
- 6443136
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 999
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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