Hexanoic acid, 2-(3-(N-propylacetamido)-2,4,6-triiodophenoxy)-
Basic information
- CAS
24340-21-4- Standard SMILES
CCCCC(Oc1c(I)cc(I)c(N(CCC)C(C)=O)c1I)C(=O)O- InChIKey
YGIVEHFBQGGLFQ-UHFFFAOYSA-N- Molecular formula
- C17H22I3NO4
- Average molar mass
- 685.1 g/mol
- Monoisotopic mass
- 684.8683
Names & identifiers
- Preferred name
- Hexanoic acid, 2-(3-(N-propylacetamido)-2,4,6-triiodophenoxy)-
- IUPAC
- 2-[3-[acetyl(propyl)amino]-2,4,6-triiodophenoxy]hexanoic acid
- English name
- 2-[[3-(N-Propylacetylamino)-2,4,6-triiodophenyl]oxy]hexanoic acid
- Molecular formula
- C17H22I3NO4
- Molecular weight
- 685.07
Names & synonyms
24340-21-4BRN 26785352-(3-(N-Propylacetamido)-2,4,6-triiodophenoxy)hexanoic acidHEXANOIC ACID, 2-(3-(N-PROPYLACETAMIDO)-2,4,6-TRIIODOPHENOXY)-RefChem:347665SCHEMBL22287214DTXSID109471792-[2,4,6-triiodo-3-(N-propylacetamido)phenoxy]hexanoic acid2-{3-[Acetyl(propyl)amino]-2,4,6-triiodophenoxy}hexanoic acidHexanoic acid, 2-[3-(acetylpropylamino)-2,4,6-triiodophenoxy]-2-[[3-(N-Propylacetylamino)-2,4,6-triiodophenyl]oxy]hexanoic acid
Database identifiers
- CAS
24340-21-4- PubChem CID
- 32300
- DTXSID
DTXSID10947179- Nikkaji
- J73.723B
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 452
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Compound notes
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