Benzoic acid, 3,3'-(sebacoyldiimino)bis(5-((2-oxo-1-pyrrolidinyl)methyl)-2,4,6-triiodo-

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

CAS: 26090-51-7

Molecular Formula	`C34H36I6N4O8`
Molecular Weight	1390.1 g/mol
LogP	6.4
Topological Polar Surface Area	173.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	17
Exact Mass	1389.68
Heavy Atoms	52
Complexity	1220.0

Chemical Identifiers

CAS Number	26090-51-7
SMILES	`C1CC(=O)N(C1)CC2=C(C(=C(C(=C2I)NC(=O)CCCCCCCCC(=O)NC3=C(C(=C(C(=C3I)C(=O)O)I)CN4CCCC4=O)I)I)C(=O)O)I`
InChIKey	`LOTQQEICNRTHIX-UHFFFAOYSA-N`

📖 Product Overview

Benzoic acid, 3,3'-(sebacoyldiimino)bis(5-((2-oxo-1-pyrrolidinyl)methyl)-2,4,6-triiodo- (CAS: 26090-51-7) is a chemical compound with molecular formula C34H36I6N4O8 and molecular weight 1390.1 g/mol. Its IUPAC systematic name is 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. LogP 6.4 Topological Polar Surface Area 173.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 8 Rotatable Bonds 17 Exact Mass 1389.68 Heavy Atoms 52 Complexity 1220.0 InChI Key: LOTQQEICNRTHIX-UHFFFAOYSA-N. SMILES: C1CC(=O)N(C1)CC2=C(C(=C(C(=C2I)NC(=O)CCCCCCCCC(=O)NC3=C(C(=C(C(=C3I)C(=O)O)I)CN4CCCC4=O)I)I)C(=O)O)I.

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