Basic information
- CAS
60345-87-1- Standard SMILES
N[C@@H](Cc1ccc([123I])cc1)C(=O)O- InChIKey
PZNQZSRPDOEBMS-GBVUCJOHSA-N- Molecular formula
- C9H10INO2
- Average molar mass
- 287.09 g/mol
- Monoisotopic mass
- 286.97674256
Names & identifiers
- Preferred name
- 4-Iodophenylalanine i-123
- IUPAC
- (2S)-2-amino-3-(4-iodophenyl)propanoic acid
Names & synonyms
4-Iodophenylalanine i-123PES8WA4REIUNII-PES8WA4REIL-Phenylalanine, 4-(iodo-123i)-60345-87-1DTXSID90209106MOLI0005954-(~123~I)Iodo-L-phenylalanineQ27286507
Database identifiers
- CAS
60345-87-1- PubChem CID
- 450220
- DTXSID
DTXSID90209106- UNII
- PES8WA4REI
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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