Basic information
- CAS
24340-28-1- Standard SMILES
CCCCC(Oc1c(I)cc(I)c(N(CC)C(=O)CC)c1I)C(=O)O- InChIKey
VTSSLIARSSEULO-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-ethylpropionamido)-2,4,6-triiodophenoxy)-
- IUPAC
- 2-[3-[ethyl(propanoyl)amino]-2,4,6-triiodophenoxy]hexanoic acid
- English name
- 2-[[3-(N-Ethylpropanoylamino)-2,4,6-triiodophenyl]oxy]hexanoic acid
- Molecular formula
- C17H22I3NO4
- Molecular weight
- 685.07
Names & synonyms
BRN 267853724340-28-12-(3-(N-Ethylpropionamido)-2,4,6-triiodophenoxy)hexanoic acidHEXANOIC ACID, 2-(3-(N-ETHYLPROPIONAMIDO)-2,4,6-TRIIODOPHENOXY)-RefChem:347662DTXSID209471852-[3-(N-ethylpropanamido)-2,4,6-triiodophenoxy]hexanoic acid2-{3-[ethyl(propanoyl)amino]-2,4,6-triiodophenoxy}hexanoic acid2-[[3-(N-Ethylpropanoylamino)-2,4,6-triiodophenyl]oxy]hexanoic acidHexanoic acid, 2-[3-[ethyl(1-oxopropyl)amino]-2,4,6-triiodophenoxy]-
Database identifiers
- CAS
24340-28-1- PubChem CID
- 32306
- DTXSID
DTXSID20947185- Nikkaji
- J73.713E
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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