Iotrioxide

3-[3-[2-[2-[3-(3-carboxy-2,4,6-triiodoanilino)-3-oxopropoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid

CAS: 26887-04-7

Molecular Formula	`C24H22I6N2O9`
Molecular Weight	1243.9 g/mol
LogP	4.3
Topological Polar Surface Area	160.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	16
Exact Mass	1243.5594
Heavy Atoms	41
Complexity	823.0

Chemical Identifiers

CAS Number	26887-04-7
SMILES	`C1=C(C(=C(C(=C1I)NC(=O)CCOCCOCCOCCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I`
InChIKey	`WIHNMHCKXOKXHG-UHFFFAOYSA-N`

📖 Product Overview

Iotrioxide (CAS: 26887-04-7) is a chemical compound with molecular formula C24H22I6N2O9 and molecular weight 1243.9 g/mol. Its IUPAC systematic name is 3-[3-[2-[2-[3-(3-carboxy-2,4,6-triiodoanilino)-3-oxopropoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid. LogP 4.3 Topological Polar Surface Area 160.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 9 Rotatable Bonds 16 Exact Mass 1243.5594 Heavy Atoms 41 Complexity 823.0 InChI Key: WIHNMHCKXOKXHG-UHFFFAOYSA-N. SMILES: C1=C(C(=C(C(=C1I)NC(=O)CCOCCOCCOCCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I.

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