Basic information
- Standard SMILES
CC(=O)OCC(COC(C)=O)NC(=O)c1c(I)c(C(=O)NC(COC(C)=O)COC(C)=O)c(I)c(N2C(=O)CCC2CI)c1I- InChIKey
ZSPFOULGHXEJNG-UHFFFAOYSA-N- Molecular formula
- C27H31I4N3O11
- Average molar mass
- 1,081.2 g/mol
- Monoisotopic mass
- 1,080.8137
Names & identifiers
- Preferred name
- N,N'-bis[2-(acetyloxy)-1-[(acetyloxy)methyl]ethyl]-5-[2-(iodomethyl)-5-oxo-1-pyrrolidinyl]-2,4,6-triiodo-1,3-benzenedicarboxamide
- IUPAC
- [3-acetyloxy-2-[[3-(1,3-diacetyloxypropan-2-ylcarbamoyl)-2,4,6-triiodo-5-[2-(iodomethyl)-5-oxopyrrolidin-1-yl]benzoyl]amino]propyl] acetate
Names & synonyms
SCHEMBL8741554ZSPFOULGHXEJNG-UHFFFAOYSA-NN,N'-bis[2-(acetyloxy)-1-[(acetyloxy)methyl]ethyl]-5-[2-(iodomethyl)-5-oxo-1-pyrrolidinyl]-2,4,6-triiodo-1,3-benzenedicarboxamideN,N'-bis[2-(acetyloxy)-1[(acetyloxy)methyl]ethyl]-5-[2-(iodomethyl)-5-oxo-1-pyrrolidinyl]-2,4,6-triiodo-1,3-benzenedicarboxamide
Database identifiers
- PubChem CID
- 10418673
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 18
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
2 records
Compound notes
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