Compound C20H30I3N3O9

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

CAS: 67336-59-8

Molecular Formula	`C20H30I3N3O9`
Molecular Weight	837.2 g/mol
Topological Polar Surface Area	216.0 A2
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	9
Rotatable Bonds	10
Exact Mass	836.9116
Heavy Atoms	35
Complexity	578.0

Chemical Identifiers

CAS Number	67336-59-8
SMILES	`CCCC(=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	`XECUYVLMRPJEFX-UHFFFAOYSA-N`

📖 Product Overview

Compound C20H30I3N3O9 (CAS: 67336-59-8) is a chemical compound with molecular formula C20H30I3N3O9 and molecular weight 837.2 g/mol. Its IUPAC systematic name is 3-(butanoylamino)-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 10 Exact Mass 836.9116 Heavy Atoms 35 Complexity 578.0 InChI Key: XECUYVLMRPJEFX-UHFFFAOYSA-N. SMILES: CCCC(=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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