BRN 2800767

3-[3-[2-[2-[3-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-3-oxopropoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid

CAS: 51211-02-0

Molecular Formula	`C28H28I6N4O11`
Molecular Weight	1358.0 g/mol
LogP	2.9
Topological Polar Surface Area	219.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	11
Rotatable Bonds	18
Exact Mass	1357.6023
Heavy Atoms	49
Complexity	1090.0

Chemical Identifiers

CAS Number	51211-02-0
SMILES	`CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CCOCCOCCOCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NC)I)I)C(=O)O)I`
InChIKey	`IADUEKFIZPXZGK-UHFFFAOYSA-N`

📖 Product Overview

BRN 2800767 (CAS: 51211-02-0) is a chemical compound with molecular formula C28H28I6N4O11 and molecular weight 1358.0 g/mol. Its IUPAC systematic name is 3-[3-[2-[2-[3-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-3-oxopropoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid. LogP 2.9 Topological Polar Surface Area 219.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 11 Rotatable Bonds 18 Exact Mass 1357.6023 Heavy Atoms 49 Complexity 1090.0 InChI Key: IADUEKFIZPXZGK-UHFFFAOYSA-N. SMILES: CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CCOCCOCCOCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NC)I)I)C(=O)O)I.

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