2-Phenyl-3-[2,4,6-triiodo-3-(3-oxomorpholin-4-yl)phenyl]propanoic acid
Basic information
- Standard SMILES
O=C(O)C(Cc1c(I)cc(I)c(N2CCOCC2=O)c1I)c1ccccc1- InChIKey
DNUQIFDMUNUVKF-UHFFFAOYSA-N- Molecular formula
- C19H16I3NO4
- Average molar mass
- 703 g/mol
- Monoisotopic mass
- 702.8214
Names & identifiers
- Preferred name
- 2-Phenyl-3-[2,4,6-triiodo-3-(3-oxomorpholin-4-yl)phenyl]propanoic acid
- IUPAC
- 2-phenyl-3-[2,4,6-triiodo-3-(3-oxomorpholin-4-yl)phenyl]propanoic acid
Database identifiers
- PubChem CID
- 210849
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 543
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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