Basic information
- CAS
67011-44-3- Standard SMILES
CCCCC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I- InChIKey
BXKVPAOMAPYOFF-UHFFFAOYSA-N- Molecular formula
- C14H15I3N2O4
- Average molar mass
- 655.99 g/mol
- Monoisotopic mass
- 655.8166
Names & identifiers
- Preferred name
- Benzoic acid, 3-acetamido-2,4,6-triiodo-5-valeramido-
- IUPAC
- 3-acetamido-2,4,6-triiodo-5-(pentanoylamino)benzoic acid
- English name
- 3-Acetylamino-2,4,6-triiodo-5-valerylaminobenzoic acid
- Molecular formula
- C14H15I3N2O4
- Molecular weight
- 655.99
Names & synonyms
BENZOIC ACID, 3-ACETAMIDO-2,4,6-TRIIODO-5-VALERAMIDO-67011-44-3BRN 34661843-Acetamido-2,4,6-triiodo-5-valeramidobenzoic acid3-acetamido-2,4,6-triiodo-5-pentanamidobenzoic acidDTXSID802172153-Acetylamino-2,4,6-triiodo-5-valerylaminobenzoic acidBenzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-[(1-oxopentyl)amino]-
Database identifiers
- CAS
67011-44-3- PubChem CID
- 48851
- DTXSID
DTXSID80217215- Nikkaji
- J73.793C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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