Basic information
- CAS
26090-52-8- Standard SMILES
O=C(CCCCCC(=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
XDBXTDURSCEOFR-UHFFFAOYSA-N- Molecular formula
- C31H30I6N4O8
- Average molar mass
- 1,348 g/mol
- Monoisotopic mass
- 1,347.6332
Names & identifiers
- Preferred name
- Benzoic acid, 3,3'-(pimeloyldiimino)bis(5-((2-oxo-1-pyrrolidinyl)methyl)-2,4,6-triiodo-
- IUPAC
- 3-[[7-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-7-oxoheptanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid
- English name
- 3-[6-[[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]hexanoylamino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid
- Molecular formula
- C31H30I6N4O8
- Molecular weight
- 1348.02
Names & synonyms
26090-52-8Benzoic acid, 3,3'-(pimeloyldiimino)bis(5-((2-oxo-1-pyrrolidinyl)methyl)-2,4,6-triiodo-BRN 15235833,3'-Pimeloyldiiminobis(5-((2-oxo-1-pyrrolidinyl)methyl)-2,4,6-triiodobenzoic acid)DTXSID901807243,3'-[(1,7-Dioxoheptane-1,7-diyl)bis(azanediyl)]bis{2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid}Benzoic acid, 3,3'-[(1,7-dioxo-1,7-heptanediyl)diimino]bis[2,4,6-triiodo-5-[(2-oxo-1-pyrrolidinyl)methyl]- (9CI)3-[6-[[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]hexanoylamino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid
Database identifiers
- CAS
26090-52-8- PubChem CID
- 33303
- DTXSID
DTXSID90180724- Nikkaji
- J83.495E
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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