Benzoic acid, 3,3'-(ethylenebis(oxyethyleneoxyethylenecarbonylimino))bis(5-(acetamidomethyl)-2,4,6-triiodo-
Basic information
- CAS
25901-41-1- Standard SMILES
CC(=O)NCc1c(I)c(NC(=O)CCOCCOCCOCCOCCC(=O)Nc2c(I)c(CNC(C)=O)c(I)c(C(=O)O)c2I)c(I)c(C(=O)O)c1I- InChIKey
OHDKFQMAJTYPTJ-UHFFFAOYSA-N- Molecular formula
- C32H36I6N4O12
- Average molar mass
- 1,430.1 g/mol
- Monoisotopic mass
- 1,429.6598
Names & identifiers
- Preferred name
- Benzoic acid, 3,3'-(ethylenebis(oxyethyleneoxyethylenecarbonylimino))bis(5-(acetamidomethyl)-2,4,6-triiodo-
- IUPAC
- 3-(acetamidomethyl)-5-[3-[2-[2-[2-[3-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodoanilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid
Names & synonyms
BRN 2800923Benzoic acid, 3,3'-(ethylenebis(oxyethyleneoxyethylenecarbonylimino))bis(5-(acetamidomethyl)-2,4,6-triiodo-25901-41-1DTXSID70180560RefChem:326951DTXCID101030513,3'-[(1,16-Dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)bis(azanediyl)]bis[5-(acetamidomethyl)-2,4,6-triiodobenzoic acid]
Database identifiers
- CAS
25901-41-1- PubChem CID
- 33213
- DTXSID
DTXSID70180560
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 228 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 23
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,170
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Compound notes
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