2-Amino-3-(4-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodophenyl)propanoic acid
Basic information
- CAS
100837-36-3- Standard SMILES
NC(Cc1cc(I)c(-c2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O- InChIKey
QHDLYNFVNBCOFT-UHFFFAOYSA-N- Molecular formula
- C15H11I4NO3
- Average molar mass
- 760.87 g/mol
- Monoisotopic mass
- 760.6918
Names & identifiers
- Preferred name
- 2-Amino-3-(4-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodophenyl)propanoic acid
- IUPAC
- 2-amino-3-[4-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodophenyl]propanoic acid
Names & synonyms
2-Amino-3-(4-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodophenyl)propanoic acid100837-36-3CHEMBL158778PD144585
Database identifiers
- CAS
100837-36-3- PubChem CID
- 180929
- ChEMBL
CHEMBL158778
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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