Basic information
- CAS
7681-60-9- Standard SMILES
NC(C(=O)[O-])c1ccc(O)c(I)c1.[Ca+2]- InChIKey
ZEXUVOVLENOFRC-UHFFFAOYSA-M- Molecular formula
- C8H7CaINO3+
- Average molar mass
- 332.13 g/mol
- Monoisotopic mass
- 331.90966
Names & identifiers
- Preferred name
- 3-Iodo-L-tyrosine calcium
- IUPAC
- calcium 2-amino-2-(4-hydroxy-3-iodophenyl)acetate
Names & synonyms
7681-60-93-Iodo-L-tyrosine calciumL-Tyrosine, 3-iodo-, calcium saltTyrosine, 3-iodo-, calcium salt, L-UNII-FFG5D2B36EFFG5D2B36E
Database identifiers
- CAS
7681-60-9- PubChem CID
- 24348
Properties
Computed structural properties
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 1
- Complexity
- 194
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…