Basic information
- CAS
828259-76-3- Standard SMILES
N[C@@H](Cc1ccccc1)c1ccc(C(=O)O)o1.O=C(O)C(F)(F)F- InChIKey
NDDWSHWRDOXVJY-PPHPATTJSA-N- Molecular formula
- C15H14F3NO5
- Average molar mass
- 345.27 g/mol
- Monoisotopic mass
- 345.08240703
Names & identifiers
- Preferred name
- 2-Furancarboxylic acid, 5-[(1S)-1-amino-2-phenylethyl]-, trifluoroacetate
- IUPAC
- 5-[(1S)-1-amino-2-phenylethyl]furan-2-carboxylic acid;2,2,2-trifluoroacetic acid
Names & synonyms
828259-76-32-Furancarboxylic acid, 5-[(1S)-1-amino-2-phenylethyl]-, trifluoroacetateDTXSID204699785-[(1S)-1-Amino-2-phenylethyl]furan-2-carboxylic acid--trifluoroacetic acid (1/1)
Database identifiers
- CAS
828259-76-3- PubChem CID
- 11645904
- DTXSID
DTXSID20469978
Properties
Computed structural properties
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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