Basic information
- CAS
24340-20-3- Standard SMILES
CCCCC(Oc1c(I)cc(I)c(N(CC)C(C)=O)c1I)C(=O)O- InChIKey
DIIHDKBJJVQEQA-UHFFFAOYSA-N- Molecular formula
- C16H20I3NO4
- Average molar mass
- 671.05 g/mol
- Monoisotopic mass
- 670.8527
Names & identifiers
- Preferred name
- Hexanoic acid, 2-(3-(N-ethylacetamido)-2,4,6-triiodophenoxy)-
- IUPAC
- 2-[3-[acetyl(ethyl)amino]-2,4,6-triiodophenoxy]hexanoic acid
- English name
- 2-[[3-(N-Ethylacetylamino)-2,4,6-triiodophenyl]oxy]hexanoic acid
- Molecular formula
- C16H20I3NO4
- Molecular weight
- 671.05
Names & synonyms
BRN 267781524340-20-32-(3-(N-Ethylacetamido)-2,4,6-triiodophenoxy)hexanoic acidHEXANOIC ACID, 2-(3-(N-ETHYLACETAMIDO)-2,4,6-TRIIODOPHENOXY)-2-[3-(N-ethylacetamido)-2,4,6-triiodophenoxy]hexanoic acidRefChem:347660DTXSID509471782-{3-[acetyl(ethyl)amino]-2,4,6-triiodophenoxy}hexanoic acidHexanoic acid, 2-[3-(acetylethylamino)-2,4,6-triiodophenoxy]-2-[[3-(N-Ethylacetylamino)-2,4,6-triiodophenyl]oxy]hexanoic acid
Database identifiers
- CAS
24340-20-3- PubChem CID
- 32299
- DTXSID
DTXSID50947178- Nikkaji
- J73.711I
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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