methyl(2,3,4,5,6-pentahydroxyhexyl)azanium2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]butanoate

methyl(2,3,4,5,6-pentahydroxyhexyl)azanium;2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]butanoate

CAS: 19080-47-8

Molecular Formula	`C21H32I3N3O10`
Molecular Weight	867.2 g/mol
Topological Polar Surface Area	225.0 A2
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	10
Rotatable Bonds	11
Exact Mass	866.9222
Heavy Atoms	37
Complexity	592.0

Chemical Identifiers

CAS Number	19080-47-8
SMILES	`CCC(C(=O)[O-])OC1=C(C(=C(C(=C1I)C(=O)NC)I)C(=O)NC)I.C[NH2+]CC(C(C(C(CO)O)O)O)O`
InChIKey	`DYKAWQNMRVUWTQ-UHFFFAOYSA-N`

📖 Product Overview

methyl(2,3,4,5,6-pentahydroxyhexyl)azanium2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]butanoate (CAS: 19080-47-8) is a chemical compound with molecular formula C21H32I3N3O10 and molecular weight 867.2 g/mol. Its IUPAC systematic name is methyl(2,3,4,5,6-pentahydroxyhexyl)azanium;2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]butanoate. Topological Polar Surface Area 225.0 A2 Hydrogen Bond Donors 8 Hydrogen Bond Acceptors 10 Rotatable Bonds 11 Exact Mass 866.9222 Heavy Atoms 37 Complexity 592.0 InChI Key: DYKAWQNMRVUWTQ-UHFFFAOYSA-N. SMILES: CCC(C(=O)[O-])OC1=C(C(=C(C(=C1I)C(=O)NC)I)C(=O)NC)I.C[NH2+]CC(C(C(C(CO)O)O)O)O.

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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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