Benzoic acid, 3,3'-(ethylenebis(oxyethylenecarbonylimino))bis(5-(butyramidomethyl)-2,4,6-triiodo-

3-[(butanoylamino)methyl]-5-[3-[2-[3-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-3-oxopropoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid

CAS: 51251-60-6

Molecular Formula	`C32H36I6N4O10`
Molecular Weight	1398.1 g/mol
LogP	4.4
Topological Polar Surface Area	209.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	10
Rotatable Bonds	21
Exact Mass	1397.67
Heavy Atoms	52
Complexity	1130.0

Chemical Identifiers

CAS Number	51251-60-6
SMILES	`CCCC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCOCCOCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)CCC)I)I)C(=O)O)I`
InChIKey	`KJIZXRRWFGKGRI-UHFFFAOYSA-N`

📖 Product Overview

Benzoic acid, 3,3'-(ethylenebis(oxyethylenecarbonylimino))bis(5-(butyramidomethyl)-2,4,6-triiodo- (CAS: 51251-60-6) is a chemical compound with molecular formula C32H36I6N4O10 and molecular weight 1398.1 g/mol. Its IUPAC systematic name is 3-[(butanoylamino)methyl]-5-[3-[2-[3-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-3-oxopropoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid. LogP 4.4 Topological Polar Surface Area 209.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 10 Rotatable Bonds 21 Exact Mass 1397.67 Heavy Atoms 52 Complexity 1130.0 InChI Key: KJIZXRRWFGKGRI-UHFFFAOYSA-N. SMILES: CCCC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCOCCOCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)CCC)I)I)C(=O)O)I.

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