Basic information
- CAS
26090-54-0- Standard SMILES
O=C(CCOCCOCCC(=O)Nc1c(I)c(CN2CCCC2=O)c(I)c(C(=O)O)c1I)Nc1c(I)c(CN2CCCC2=O)c(I)c(C(=O)O)c1I- InChIKey
KEPNWUOCHSRHGY-UHFFFAOYSA-N- Molecular formula
- C32H32I6N4O10
- Average molar mass
- 1,394 g/mol
- Monoisotopic mass
- 1,393.6387
Names & identifiers
- Preferred name
- Benzoic acid, 3,3'-(ethylenebis(oxyethylenecarbonylimino))bis(5-(2-oxo-1-pyrrolidinylmethyl)-2,4,6-triiodo-
- IUPAC
- 3-[3-[2-[3-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-3-oxopropoxy]ethoxy]propanoylamino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid
Names & synonyms
Benzoic acid, 3,3'-(ethylenebis(oxyethylenecarbonylimino))bis(5-(2-oxo-1-pyrrolidinylmethyl)-2,4,6-triiodo-26090-54-0BRN 1523603DTXSID501807253,3'-{Ethane-1,2-diylbis[oxy(1-oxopropane-3,1-diyl)azanediyl]}bis{2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid}
Database identifiers
- CAS
26090-54-0- PubChem CID
- 33304
- DTXSID
DTXSID50180725
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 192 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 17
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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