Benzoic acid, 3,3'-(adipoyldiimino)bis(5-((2-oxo-1-pyrrolidinyl)methyl)-2,4,6-triiodo-
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Basic information
- CAS
51134-92-0- Standard SMILES
O=C(CCCCC(=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
DXYQAEKHSLXMEF-UHFFFAOYSA-N- Molecular formula
- C30H28I6N4O8
- Average molar mass
- 1,334 g/mol
- Monoisotopic mass
- 1,333.6175
Names & identifiers
- Preferred name
- Benzoic acid, 3,3'-(adipoyldiimino)bis(5-((2-oxo-1-pyrrolidinyl)methyl)-2,4,6-triiodo-
- IUPAC
- 3-[[6-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-6-oxohexanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid
- English name
- 3-[5-[[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]pentanoylamino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid
- Molecular formula
- C30H28I6N4O8
- Molecular weight
- 1333.99
Names & synonyms
BRN 152308051134-92-0Benzoic acid, 3,3'-(adipoyldiimino)bis(5-((2-oxo-1-pyrrolidinyl)methyl)-2,4,6-triiodo-DTXSID101991565-21-06-00379 (Beilstein Handbook Reference)3,3'-(Adipoyldiimino)bis(5-((2-oxo-1-pyrrolidinyl)methyl)-2,4,6-triiodobenzoic acid)RefChem:326938DTXCID401216473,3'-[(1,6-Dioxohexane-1,6-diyl)bis(azanediyl)]bis{2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid}Benzoic acid, 3,3'-[(1,6-dioxo-1,6-hexanediyl)diimino]bis[2,4,6-triiodo-5-[(2-oxo-1-pyrrolidinyl)methyl]- (9CI)3-[5-[[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]pentanoylamino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid
Database identifiers
- CAS
51134-92-0- PubChem CID
- 39903
- DTXSID
DTXSID10199156- Nikkaji
- J73.797F
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
0 records
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Compound notes
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