BRN 2800851

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

CAS: 51211-03-1

Molecular Formula	`C30H32I6N4O12`
Molecular Weight	1402.0 g/mol
LogP	2.8
Topological Polar Surface Area	228.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	12
Rotatable Bonds	21
Exact Mass	1401.6285
Heavy Atoms	52
Complexity	1140.0

Chemical Identifiers

CAS Number	51211-03-1
SMILES	`CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CCOCCOCCOCCOCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NC)I)I)C(=O)O)I`
InChIKey	`JVYKDNBEAASPBV-UHFFFAOYSA-N`

📖 Product Overview

BRN 2800851 (CAS: 51211-03-1) is a chemical compound with molecular formula C30H32I6N4O12 and molecular weight 1402.0 g/mol. Its IUPAC systematic name is 3-[3-[2-[2-[2-[3-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid. LogP 2.8 Topological Polar Surface Area 228.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 12 Rotatable Bonds 21 Exact Mass 1401.6285 Heavy Atoms 52 Complexity 1140.0 InChI Key: JVYKDNBEAASPBV-UHFFFAOYSA-N. SMILES: CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CCOCCOCCOCCOCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NC)I)I)C(=O)O)I.

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