BRN 2799854

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

CAS: 51134-93-1

Molecular Formula	`C22H18I6N2O8`
Molecular Weight	1199.8 g/mol
LogP	4.5
Topological Polar Surface Area	151.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	13
Exact Mass	1199.5332
Heavy Atoms	38
Complexity	776.0

Chemical Identifiers

CAS Number	51134-93-1
SMILES	`C1=C(C(=C(C(=C1I)NC(=O)CCOCCOCCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I`
InChIKey	`LMNNBHSMSLESJO-UHFFFAOYSA-N`

📖 Product Overview

BRN 2799854 (CAS: 51134-93-1) is a chemical compound with molecular formula C22H18I6N2O8 and molecular weight 1199.8 g/mol. Its IUPAC systematic name is 3-[3-[2-[3-(3-carboxy-2,4,6-triiodoanilino)-3-oxopropoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid. LogP 4.5 Topological Polar Surface Area 151.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 8 Rotatable Bonds 13 Exact Mass 1199.5332 Heavy Atoms 38 Complexity 776.0 InChI Key: LMNNBHSMSLESJO-UHFFFAOYSA-N. SMILES: C1=C(C(=C(C(=C1I)NC(=O)CCOCCOCCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I.

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