Basic information
- CAS
67011-42-1- Standard SMILES
CCCCCC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I- InChIKey
VIUGMZLMZLCNGG-UHFFFAOYSA-N- Molecular formula
- C15H17I3N2O4
- Average molar mass
- 670.02 g/mol
- Monoisotopic mass
- 669.8322
Names & identifiers
- Preferred name
- Benzoic acid, 3-acetamido-5-hexanamido-2,4,6-triiodo-
- IUPAC
- 3-acetamido-5-(hexanoylamino)-2,4,6-triiodobenzoic acid
- English name
- 3-Acetylamino-5-(1-oxohexylamino)-2,4,6-triiodobenzoic acid
- Molecular formula
- C15H17I3N2O4
- Molecular weight
- 670.02
Names & synonyms
3-Acetamido-5-hexanamido-2,4,6-triiodobenzoic acidBENZOIC ACID, 3-ACETAMIDO-5-HEXANAMIDO-2,4,6-TRIIODO-67011-42-1BRN 3468577DTXSID602172133-Acetylamino-5-(1-oxohexylamino)-2,4,6-triiodobenzoic acidBenzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-[(1-oxohexyl)amino]-
Database identifiers
- CAS
67011-42-1- PubChem CID
- 48849
- DTXSID
DTXSID60217213- Nikkaji
- J71.599I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 478
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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