Benzoic acid, 3,3'-(ethylenebis(oxyethyleneoxyethylenecarbonylimino))bis(5-(propionamidomethyl)-2,4,6-triiodo-
Basic information
- CAS
51134-96-4- Standard SMILES
CCC(=O)NCc1c(I)c(NC(=O)CCOCCOCCOCCOCCC(=O)Nc2c(I)c(CNC(=O)CC)c(I)c(C(=O)O)c2I)c(I)c(C(=O)O)c1I- InChIKey
KUZJTMNFNORLJY-UHFFFAOYSA-N- Molecular formula
- C34H40I6N4O12
- Average molar mass
- 1,458.1 g/mol
- Monoisotopic mass
- 1,457.6911
Names & identifiers
- Preferred name
- Benzoic acid, 3,3'-(ethylenebis(oxyethyleneoxyethylenecarbonylimino))bis(5-(propionamidomethyl)-2,4,6-triiodo-
- IUPAC
- 3-[3-[2-[2-[2-[3-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid
Names & synonyms
BRN 2800963Benzoic acid, 3,3'-(ethylenebis(oxyethyleneoxyethylenecarbonylimino))bis(5-(propionamidomethyl)-2,4,6-triiodo-51134-96-4DTXSID00199160RefChem:326952DTXCID301216513,3'-[(1,16-Dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)bis(azanediyl)]bis[2,4,6-triiodo-5-(propanamidomethyl)benzoic acid]
Database identifiers
- CAS
51134-96-4- PubChem CID
- 39907
- DTXSID
DTXSID00199160
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 228 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 25
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,200
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Compound notes
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