(10,11-Dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl 2-chloroacetate
Basic information
- CAS
80178-14-9- Standard SMILES
CC1=CC2OC3C(O)C(O)C(C)(C2(COC(=O)CCl)CC1)C31CO1- InChIKey
QPVVAWSGXBERRH-UHFFFAOYSA-N- Molecular formula
- C17H23ClO6
- Average molar mass
- 358.8 g/mol
- Monoisotopic mass
- 358.1183161
Names & identifiers
- Preferred name
- (10,11-Dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl 2-chloroacetate
- IUPAC
- (10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl 2-chloroacetate
Names & synonyms
NSC29491380178-14-9Anguidine Deriv 15-Chloroacetylscirpene-3,4- Diol[dihydroxy(dimethyl)spiro[[?]-2,2'-oxirane]yl]methyl 2-chloroacetate
Database identifiers
- CAS
80178-14-9- PubChem CID
- 457968
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 608
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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