Basic information
- CAS
171049-36-8- Standard SMILES
COC(=O)C[C@@H](OS(=O)(=O)C(F)(F)F)C(=O)OC- InChIKey
VTGAHMHUTNTATF-SCSAIBSYSA-N- Molecular formula
- C7H9F3O7S
- Average molar mass
- 294.2 g/mol
- Monoisotopic mass
- 294.00210828
Names & identifiers
- Preferred name
- Dimethyl (r)-malate o-triflate
- IUPAC
- dimethyl (2R)-2-(trifluoromethylsulfonyloxy)butanedioate
Names & synonyms
dimethyl (r)-malate o-triflate171049-36-8SCHEMBL27419345DTXSID70452754VTGAHMHUTNTATF-SCSAIBSYSA-NDimethyl (2R)-2-[(trifluoromethanesulfonyl)oxy]butanedioate
Database identifiers
- CAS
171049-36-8- PubChem CID
- 11033713
- DTXSID
DTXSID70452754- Nikkaji
- J1.872.396D
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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