Basic information
- CAS
10590-22-4- Standard SMILES
CC(=O)Nc1c(I)cc(I)c(CC(CCCC(=O)O)C(=O)O)c1I- InChIKey
CCSBZMWWQCYNDN-UHFFFAOYSA-N- Molecular formula
- C15H16I3NO5
- Average molar mass
- 671 g/mol
- Monoisotopic mass
- 670.8163
Names & identifiers
- Preferred name
- Adipic acid, 2-(3-acetamido-2,4,6-triiodobenzyl)-
- IUPAC
- 2-[(3-acetamido-2,4,6-triiodophenyl)methyl]hexanedioic acid
Names & synonyms
BRN 30401512-(3-Acetamido-2,4,6-triiodobenzyl)adipic acidHexanedioic acid, 2-(3-acetamido-2,4,6-triiodobenzyl)-10590-22-4ADIPIC ACID, 2-(3-ACETAMIDO-2,4,6-TRIIODOBENZYL)-Acido 2-(3-acetilamino-2,4,6-triiodobenzil)adipico [Italian]Acido 2-(3-acetilamino-2,4,6-triiodobenzil)adipicoRefChem:317298DTXSID109098182-({3-[(1-Hydroxyethylidene)amino]-2,4,6-triiodophenyl}methyl)hexanedioic acid
Database identifiers
- CAS
10590-22-4- PubChem CID
- 25409
- DTXSID
DTXSID10909818- Nikkaji
- J73.412H
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 476
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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