isophthalamic acid, 5-hexanoylamino-n-methyl-2,4,6-triiodo-, n-methylglucamine salt
Basic information
- CAS
67314-28-7- Standard SMILES
CCCCCC(=O)Nc1c(I)c(C(=O)[O-])c(I)c(C(=O)NC)c1I.C[NH2+]CC(O)C(O)C(O)C(O)CO- InChIKey
HKPXPCCSVGPIPG-UHFFFAOYSA-N- Molecular formula
- C22H34I3N3O9
- Average molar mass
- 865.2 g/mol
- Monoisotopic mass
- 864.9429
Names & identifiers
- Preferred name
- isophthalamic acid, 5-hexanoylamino-n-methyl-2,4,6-triiodo-, n-methylglucamine salt
- IUPAC
- 3-(hexanoylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoate;methyl(2,3,4,5,6-pentahydroxyhexyl)azanium
Names & synonyms
5-Hexanoylamino-N-methyl-2,4,6-triiodoisophthalamic acid N-methylglucamine saltIsophthalamic acid, 5-hexanoylamino-N-methyl-2,4,6-triiodo-, N-methylglucamine salt67314-28-7RefChem:349769
Database identifiers
- CAS
67314-28-7- PubChem CID
- 49799
Properties
Computed structural properties
- Topological polar surface area
- 216 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 606
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…