3-[[2-[2-(3-carboxy-2,4,6-triiodoanilino)-2-oxoethoxy]acetyl]amino]-2,4,6-triiodobenzoic acid6-(methylamino)hexane-1,2,3,4,5-pentol

3-[[2-[2-(3-carboxy-2,4,6-triiodoanilino)-2-oxoethoxy]acetyl]amino]-2,4,6-triiodobenzoic acid;6-(methylamino)hexane-1,2,3,4,5-pentol

CAS: 4914-65-2

Molecular Formula	`C25H27I6N3O12`
Molecular Weight	1322.9 g/mol
Topological Polar Surface Area	255.0 A2
Hydrogen Bond Donors	10
Hydrogen Bond Acceptors	13
Rotatable Bonds	14
Exact Mass	1322.5863
Heavy Atoms	46
Complexity	836.0

Chemical Identifiers

CAS Number	4914-65-2
SMILES	`CNCC(C(C(C(CO)O)O)O)O.C1=C(C(=C(C(=C1I)NC(=O)COCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I`
InChIKey	`FRMWIRNTYJSUHV-UHFFFAOYSA-N`

📖 Product Overview

3-[[2-[2-(3-carboxy-2,4,6-triiodoanilino)-2-oxoethoxy]acetyl]amino]-2,4,6-triiodobenzoic acid6-(methylamino)hexane-1,2,3,4,5-pentol (CAS: 4914-65-2) is a chemical compound with molecular formula C25H27I6N3O12 and molecular weight 1322.9 g/mol. Its IUPAC systematic name is 3-[[2-[2-(3-carboxy-2,4,6-triiodoanilino)-2-oxoethoxy]acetyl]amino]-2,4,6-triiodobenzoic acid;6-(methylamino)hexane-1,2,3,4,5-pentol. Topological Polar Surface Area 255.0 A2 Hydrogen Bond Donors 10 Hydrogen Bond Acceptors 13 Rotatable Bonds 14 Exact Mass 1322.5863 Heavy Atoms 46 Complexity 836.0 InChI Key: FRMWIRNTYJSUHV-UHFFFAOYSA-N. SMILES: CNCC(C(C(C(CO)O)O)O)O.C1=C(C(=C(C(=C1I)NC(=O)COCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for 3-[[2-[2-(3-carboxy-2,4,6-triiodoanilino)-2-oxoethoxy]acetyl]amino]-2,4,6-triiodobenzoic acid6-(methylamino)hexane-1,2,3,4,5-pentol.

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