Basic information
- CAS
22275-42-9- Standard SMILES
CCCCC(Oc1c(I)cc(I)c(N(CC)C(=O)CCC)c1I)C(=O)O- InChIKey
CLPVQYCTFRKKFM-UHFFFAOYSA-N- Molecular formula
- C18H24I3NO4
- Average molar mass
- 699.1 g/mol
- Monoisotopic mass
- 698.884
Names & identifiers
- Preferred name
- Hexanoic acid, 2-(3-(N-ethylbutyramido)-2,4,6-triiodophenoxy)-
- IUPAC
- 2-[3-[butanoyl(ethyl)amino]-2,4,6-triiodophenoxy]hexanoic acid
- English name
- 2-[[3-(N-Ethylbutanoylamino)-2,4,6-triiodophenyl]oxy]hexanoic acid
- Molecular weight
- 0
Names & synonyms
22275-42-9BRN 26791842-(3-(N-Ethylbutyramido)-2,4,6-triiodophenoxy)hexanoic acidHEXANOIC ACID, 2-(3-(N-ETHYLBUTYRAMIDO)-2,4,6-TRIIODOPHENOXY)-RefChem:347661DTXSID209449372-[3-(N-ethylbutanamido)-2,4,6-triiodophenoxy]hexanoic acid2-{3-[butanoyl(ethyl)amino]-2,4,6-triiodophenoxy}hexanoic acid2-[[3-(N-Ethylbutanoylamino)-2,4,6-triiodophenyl]oxy]hexanoic acid
Database identifiers
- CAS
22275-42-9- PubChem CID
- 31111
- DTXSID
DTXSID20944937- Nikkaji
- J73.712G
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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