Completing data — usually done within a minute
Basic information
- CAS
10397-76-9- Standard SMILES
CNC(=O)c1c(I)c(NC(=O)CCCCCCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NC)c2I)c(I)c(C(=O)O)c1I- InChIKey
YKUMCWOEENHSDD-UHFFFAOYSA-N- Molecular formula
- C26H24I6N4O8
- Average molar mass
- 1,281.922 g/mol
- Monoisotopic mass
- 1,281.58625173
Names & identifiers
- Preferred name
- Isophthalamic acid, 5,5'-(hexamethylenebis(carbonylimino))bis(N-methyl-2,4,6-triiodo-
- IUPAC
- 3,3'-[(1,8-Dioxooctane-1,8-diyl)bis(azanediyl)]bis[2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid]
- English name
- 3-[7-[[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]carbamoyl]heptanoylamino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
- Molecular formula
- C26H24I6N4O8
- Molecular weight
- 1281.92
Names & synonyms
5,5'-(1,8-Dioxooctane-1,8-diyldiimino)bis[2,4,6-triiodo-3-(methylcarbamoyl)benzoic acid]Benzoic acid, 3,3'-[(1,8-dioxo-1,8-octanediyl)diimino]bis[2,4,6-triiodo-5-[(methylamino)carbonyl]- (9CI)3-[7-[[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]carbamoyl]heptanoylamino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
Database identifiers
- CAS
10397-76-9- PubChem CID
- 25230
- DTXSID
DTXSID80146172- Nikkaji
- J41.103E
Properties
Physicochemical properties
- Melting point
- 278 · 278.0-280.5 °C
- Boiling point
- 879.7 · 879.7±65.0 °C(Predicted)
- Density
- 2.461 · 2.461±0.06 g/cm3(Predicted)
- pka
- 0.56 · 0.56±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…