Compound C22H34I3N3O9

3-(hexanoylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoate;methyl(2,3,4,5,6-pentahydroxyhexyl)azanium

CAS: 67314-28-7

Molecular Formula	`C22H34I3N3O9`
Molecular Weight	865.2 g/mol
Topological Polar Surface Area	216.0 A2
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	9
Rotatable Bonds	12
Exact Mass	864.9429
Heavy Atoms	37
Complexity	606.0

Chemical Identifiers

CAS Number	67314-28-7
SMILES	`CCCCCC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)C(=O)NC)I.C[NH2+]CC(C(C(C(CO)O)O)O)O`
InChIKey	`HKPXPCCSVGPIPG-UHFFFAOYSA-N`

📖 Product Overview

Compound C22H34I3N3O9 (CAS: 67314-28-7) is a chemical compound with molecular formula C22H34I3N3O9 and molecular weight 865.2 g/mol. Its IUPAC systematic name is 3-(hexanoylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoate;methyl(2,3,4,5,6-pentahydroxyhexyl)azanium. Topological Polar Surface Area 216.0 A2 Hydrogen Bond Donors 8 Hydrogen Bond Acceptors 9 Rotatable Bonds 12 Exact Mass 864.9429 Heavy Atoms 37 Complexity 606.0 InChI Key: HKPXPCCSVGPIPG-UHFFFAOYSA-N. SMILES: CCCCCC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)C(=O)NC)I.C[NH2+]CC(C(C(C(CO)O)O)O)O.

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