Basic information
- CAS
51134-95-3- Standard SMILES
CCC(=O)NCc1c(I)c(NC(=O)CCOCCOCCC(=O)Nc2c(I)c(CNC(=O)CC)c(I)c(C(=O)O)c2I)c(I)c(C(=O)O)c1I- InChIKey
MQTYKIAZPLAFMZ-UHFFFAOYSA-N- Molecular formula
- C30H32I6N4O10
- Average molar mass
- 1,370 g/mol
- Monoisotopic mass
- 1,369.6387
Names & identifiers
- Preferred name
- Benzoic acid, 3,3'-(ethylenebis(oxyethylenecarbonylimino))bis(5-(propionamidomethyl)-2,4,6-triiodo-
- IUPAC
- 3-[3-[2-[3-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-3-oxopropoxy]ethoxy]propanoylamino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid
Names & synonyms
BRN 2800842Benzoic acid, 3,3'-(ethylenebis(oxyethylenecarbonylimino))bis(5-(propionamidomethyl)-2,4,6-triiodo-51134-95-3DTXSID90199159RefChem:326948DTXCID701216503,3'-{Ethane-1,2-diylbis[oxy(1-oxopropane-3,1-diyl)azanediyl]}bis[2,4,6-triiodo-5-(propanamidomethyl)benzoic acid]
Database identifiers
- CAS
51134-95-3- PubChem CID
- 39906
- DTXSID
DTXSID90199159
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 209 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 19
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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