Basic information
- CAS
22189-29-3- Standard SMILES
CC(N)(Cc1cc(I)c(Oc2ccc([O-])c(I)c2)c(I)c1)C(=O)[O-].[Na+].[Na+]- InChIKey
AXIOAEOUOTYZJF-UHFFFAOYSA-L- Molecular formula
- C16H12I3NNa2O4
- Average molar mass
- 708.96 g/mol
- Monoisotopic mass
- 708.7696
Names & identifiers
- Preferred name
- Disodium 2-amino-3-[3,5-diiodo-4-(3-iodo-4-oxidophenoxy)phenyl]-2-methylpropanoate
- IUPAC
- disodium;2-amino-3-[3,5-diiodo-4-(3-iodo-4-oxidophenoxy)phenyl]-2-methylpropanoate
Names & synonyms
DTXSID60274902disodium 2-amino-3-[3,5-diiodo-4-(3-iodo-4-oxidophenoxy)phenyl]-2-methylpropanoate
Database identifiers
- CAS
22189-29-3- PubChem CID
- 30969
- DTXSID
DTXSID60274902
Properties
Computed structural properties
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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