iotroxic acid

3-[[2-[2-[2-[2-(3-carboxy-2,4,6-triiodoanilino)-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]-2,4,6-triiodobenzoic acid

CAS: 51022-74-3

Molecular Formula	`C22H18I6N2O9`
Molecular Weight	1215.8 g/mol
LogP	4.5
Topological Polar Surface Area	160.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	14
Exact Mass	1215.5281
Heavy Atoms	39
Complexity	793.0

Chemical Identifiers

CAS Number	51022-74-3
SMILES	`C1=C(C(=C(C(=C1I)NC(=O)COCCOCCOCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I`
InChIKey	`JXMIBUGMYLQZGO-UHFFFAOYSA-N`

📖 Product Overview

iotroxic acid (CAS: 51022-74-3) is a chemical compound with molecular formula C22H18I6N2O9 and molecular weight 1215.8 g/mol. Its IUPAC systematic name is 3-[[2-[2-[2-[2-(3-carboxy-2,4,6-triiodoanilino)-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]-2,4,6-triiodobenzoic acid. LogP 4.5 Topological Polar Surface Area 160.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 9 Rotatable Bonds 14 Exact Mass 1215.5281 Heavy Atoms 39 Complexity 793.0 InChI Key: JXMIBUGMYLQZGO-UHFFFAOYSA-N. SMILES: C1=C(C(=C(C(=C1I)NC(=O)COCCOCCOCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I.

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