Basic information
- Standard SMILES
CCC(Cc1c(I)cc(I)c(NC(=O)CN2CCNCCNCCNCC2)c1I)C(=O)O- InChIKey
NHBBZDRPISIAHX-UHFFFAOYSA-N- Molecular formula
- C21H32I3N5O3
- Average molar mass
- 783.2 g/mol
Names & identifiers
- Preferred name
- N-[3-(2-carboxybutyl)-2,4,6-triiodophenyl]-1,4,7,10-tetraazacyclododecane-1-acetamide
- IUPAC
- 2-[[2,4,6-triiodo-3-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]phenyl]methyl]butanoic acid
Names & synonyms
SCHEMBL8207237NHBBZDRPISIAHX-UHFFFAOYSA-NN-[3-(2-carboxybutyl)-2,4,6-triiodophenyl]-1,4,7,10-tetraazacyclododecane-1-acetamide
Database identifiers
- PubChem CID
- 22921399
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 577
Related reactions
3 records
Compound notes
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