Basic information
- CAS
26090-51-7- Standard SMILES
O=C(CCCCCCCCC(=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
LOTQQEICNRTHIX-UHFFFAOYSA-N- Molecular formula
- C34H36I6N4O8
- Average molar mass
- 1,390.1 g/mol
- Monoisotopic mass
- 1,389.6801
Names & identifiers
- Preferred name
- Benzoic acid, 3,3'-(sebacoyldiimino)bis(5-((2-oxo-1-pyrrolidinyl)methyl)-2,4,6-triiodo-
- IUPAC
- 3-[[10-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-10-oxodecanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid
Names & synonyms
Benzoic acid, 3,3'-(sebacoyldiimino)bis(5-((2-oxo-1-pyrrolidinyl)methyl)-2,4,6-triiodo-26090-51-7BRN 15235953,3'-(Sebacoyldiimino)bis(5-((2-oxo-1-pyrrolidinyl)methyl)-2,4,6-triiodobenzoic acid)DTXSID301807233,3'-[(1,10-Dioxodecane-1,10-diyl)bis(azanediyl)]bis{2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid}
Database identifiers
- CAS
26090-51-7- PubChem CID
- 33301
- DTXSID
DTXSID30180723- Nikkaji
- J83.515C
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 17
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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