Basic information
- CAS
24340-27-0- Standard SMILES
CCCCC(Oc1c(I)cc(I)c(N(C)C(=O)CC)c1I)C(=O)O- InChIKey
KUIXXSYZPPSFJG-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-methylpropionamido)-2,4,6-triiodophenoxy)-
- IUPAC
- 2-[2,4,6-triiodo-3-[methyl(propanoyl)amino]phenoxy]hexanoic acid
- English name
- 2-[[3-(N-Methylpropanoylamino)-2,4,6-triiodophenyl]oxy]hexanoic acid
- Molecular formula
- C16H20I3NO4
- Molecular weight
- 671.05
Names & synonyms
BRN 26773502-(3-(N-Methylpropionamido)-2,4,6-triiodophenoxy)hexanoic acid24340-27-0HEXANOIC ACID, 2-(3-(N-METHYLPROPIONAMIDO)-2,4,6-TRIIODOPHENOXY)-RefChem:347664DTXSID609471842-[2,4,6-TRIIODO-3-(N-METHYLPROPANAMIDO)PHENOXY]HEXANOIC ACID2-{2,4,6-Triiodo-3-[methyl(propanoyl)amino]phenoxy}hexanoic acid2-[[3-(N-Methylpropanoylamino)-2,4,6-triiodophenyl]oxy]hexanoic acidHexanoic acid, 2-[2,4,6-triiodo-3-[methyl(1-oxopropyl)amino]phenoxy]-
Database identifiers
- CAS
24340-27-0- PubChem CID
- 32305
- DTXSID
DTXSID60947184- Nikkaji
- J73.720H
Properties
Computed structural properties
- XLogP
- 5.1
- 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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