Basic information
- Standard SMILES
CC(=O)OCCN(C(=O)C(C)OC(C)=O)c1c(I)c(COC(C)=O)c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)c1I- InChIKey
IZTIDWJWFPKYHB-UHFFFAOYSA-N- Molecular formula
- C26H31I3N2O12
- Average molar mass
- 944.2 g/mol
- Monoisotopic mass
- 943.9011
Names & identifiers
- Preferred name
- 5-[N'-(2-Acetoxyethyl)-2-acetoxypropionylamino]-3-acetoxymethyl-N-(2,3-di-acetoxypropyl)-2,4,6-triiodobenzamide
- IUPAC
- 2-[3-(acetyloxymethyl)-N-(2-acetyloxypropanoyl)-5-(2,3-diacetyloxypropylcarbamoyl)-2,4,6-triiodoanilino]ethyl acetate
Names & synonyms
IZTIDWJWFPKYHB-UHFFFAOYSA-N5-[N'-(2-Acetoxyethyl)-2-acetoxypropionylamino]-3-acetoxymethyl-N-(2,3-di-acetoxypropyl)-2,4,6-triiodobenzamide
Database identifiers
- PubChem CID
- 18429263
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 19
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
3 records
Compound notes
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