Benzoic acid, 3,3'-(1,2-ethanediylbis(oxy(1-oxo-3,1-propanediyl)imino))bis(2,4,6-triiodo-5-(((1-oxobutyl)amino)methyl)-
Basic information
- CAS
51251-60-6- Standard SMILES
CCCC(=O)NCc1c(I)c(NC(=O)CCOCCOCCC(=O)Nc2c(I)c(CNC(=O)CCC)c(I)c(C(=O)O)c2I)c(I)c(C(=O)O)c1I- InChIKey
KJIZXRRWFGKGRI-UHFFFAOYSA-N- Molecular formula
- C32H36I6N4O10
- Average molar mass
- 1,398.1 g/mol
- Monoisotopic mass
- 1,397.67
Names & identifiers
- Preferred name
- Benzoic acid, 3,3'-(1,2-ethanediylbis(oxy(1-oxo-3,1-propanediyl)imino))bis(2,4,6-triiodo-5-(((1-oxobutyl)amino)methyl)-
- IUPAC
- 3-[(butanoylamino)methyl]-5-[3-[2-[3-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-3-oxopropoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid
Names & synonyms
Benzoic acid, 3,3'-(ethylenebis(oxyethylenecarbonylimino))bis(5-(butyramidomethyl)-2,4,6-triiodo-51251-60-6DTXSID00199261RefChem:1078995DTXCID30121752Benzoic acid, 3,3'-(1,2-ethanediylbis(oxy(1-oxo-3,1-propanediyl)imino))bis(2,4,6-triiodo-5-(((1-oxobutyl)amino)methyl)-BRN 28008763,3'-{Ethane-1,2-diylbis[oxy(1-oxopropane-3,1-diyl)azanediyl]}bis[5-(butanamidomethyl)-2,4,6-triiodobenzoic acid]
Database identifiers
- CAS
51251-60-6- PubChem CID
- 39970
- DTXSID
DTXSID00199261
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 209 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 21
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,130
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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