Basic information
- Standard SMILES
O=C(CN1CCNCCNCCNCC1)Nc1c(I)cc(I)c(C(=O)O)c1I- InChIKey
APAKKWHJOYSJAG-UHFFFAOYSA-N- Molecular formula
- C17H24I3N5O3
- Average molar mass
- 727.1 g/mol
- Monoisotopic mass
- 726.9013
Names & identifiers
- Preferred name
- N-(3-carboxy-2,4,6-triiodophenyl)-1,4,7,10-tetraazacyclododecane-1-acetamide
- IUPAC
- 2,4,6-triiodo-3-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]benzoic acid
Names & synonyms
SCHEMBL8206358APAKKWHJOYSJAG-UHFFFAOYSA-NN-(3-carboxy-2,4,6-triiodophenyl)-1,4,7,10-tetraazacyclododecane-1-acetamide
Database identifiers
- PubChem CID
- 22921403
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 504
Related reactions
5 records
Compound notes
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