Benzoic acid, 3,3'-(azelaoyldiimino)bis(5-((2-oxo-1-pyrrolidinyl)methyl)-2,4,6-triiodo-
Basic information
- CAS
26090-50-6- Standard SMILES
O=C(CCCCCCCC(=O)Nc1c(I)c(CN2CCCC2=O)c(I)c(C(=O)O)c1I)Nc1c(I)c(CN2CCCC2=O)c(I)c(C(=O)O)c1I- InChIKey
UIXGQHGQJYKCFU-UHFFFAOYSA-N- Molecular formula
- C33H34I6N4O8
- Average molar mass
- 1,376.1 g/mol
- Monoisotopic mass
- 1,375.6645
Names & identifiers
- Preferred name
- Benzoic acid, 3,3'-(azelaoyldiimino)bis(5-((2-oxo-1-pyrrolidinyl)methyl)-2,4,6-triiodo-
- IUPAC
- 3-[[9-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-9-oxononanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid
- English name
- 3-[8-[[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]octanoylamino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid
- Molecular formula
- C33H34I6N4O8
- Molecular weight
- 1376.07
Names & synonyms
26090-50-6Benzoic acid, 3,3'-(azelaoyldiimino)bis(5-((2-oxo-1-pyrrolidinyl)methyl)-2,4,6-triiodo-BRN 15235903,3'-(Azelaoyldiimino)bis(5-((2-oxo-1-pyrrolidinyl)methyl)-2,4,6-triiodobenzoic acid)DTXSID701807223,3'-[(1,9-Dioxononane-1,9-diyl)bis(azanediyl)]bis{2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid}Benzoic acid, 3,3'-[(1,9-dioxo-1,9-nonanediyl)diimino]bis[2,4,6-triiodo-5-[(2-oxo-1-pyrrolidinyl)methyl]- (9CI)3-[8-[[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]octanoylamino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid
Database identifiers
- CAS
26090-50-6- PubChem CID
- 33300
- DTXSID
DTXSID70180722- Nikkaji
- J73.856E
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 16
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,210
Physicochemical properties
- Boiling point
- 1098.8 · 1098.8±65.0 °C(Predicted)
- Density
- 2.344 · 2.344±0.06 g/cm3(Predicted)
- pka
- 0.9 · 0.90±0.10(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…