Benzoic acid, 3,3'-(trimethylenebis(oxyethylenecarbonylimino))bis(5-(propionamidomethyl)-2,4,6-triiodo-
Basic information
- CAS
25903-28-0- Standard SMILES
CCC(=O)NCc1c(I)c(NC(=O)CCOCCCOCCC(=O)Nc2c(I)c(CNC(=O)CC)c(I)c(C(=O)O)c2I)c(I)c(C(=O)O)c1I- InChIKey
MJOBKBZNCGOLLJ-UHFFFAOYSA-N- Molecular formula
- C31H34I6N4O10
- Average molar mass
- 1,384 g/mol
- Monoisotopic mass
- 1,383.6543
Names & identifiers
- Preferred name
- Benzoic acid, 3,3'-(trimethylenebis(oxyethylenecarbonylimino))bis(5-(propionamidomethyl)-2,4,6-triiodo-
- IUPAC
- 3-[3-[3-[3-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-3-oxopropoxy]propoxy]propanoylamino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid
Names & synonyms
BRN 2800860Benzoic acid, 3,3'-(trimethylenebis(oxyethylenecarbonylimino))bis(5-(propionamidomethyl)-2,4,6-triiodo-25903-28-0DTXSID50180568RefChem:326971DTXCID901030593,3'-{Propane-1,3-diylbis[oxy(1-oxopropane-3,1-diyl)azanediyl]}bis[2,4,6-triiodo-5-(propanamidomethyl)benzoic acid]
Database identifiers
- CAS
25903-28-0- PubChem CID
- 33219
- DTXSID
DTXSID50180568
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 209 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 20
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,120
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Compound notes
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