BRN 2800923

3-(acetamidomethyl)-5-[3-[2-[2-[2-[3-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodoanilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid

CAS: 25901-41-1

Molecular Formula	`C32H36I6N4O12`
Molecular Weight	1430.1 g/mol
LogP	2.4
Topological Polar Surface Area	228.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	12
Rotatable Bonds	23
Exact Mass	1429.6598
Heavy Atoms	54
Complexity	1170.0

Chemical Identifiers

CAS Number	25901-41-1
SMILES	`CC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCOCCOCCOCCOCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)C)I)I)C(=O)O)I`
InChIKey	`OHDKFQMAJTYPTJ-UHFFFAOYSA-N`

📖 Product Overview

BRN 2800923 (CAS: 25901-41-1) is a chemical compound with molecular formula C32H36I6N4O12 and molecular weight 1430.1 g/mol. Its IUPAC systematic name is 3-(acetamidomethyl)-5-[3-[2-[2-[2-[3-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodoanilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid. LogP 2.4 Topological Polar Surface Area 228.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 12 Rotatable Bonds 23 Exact Mass 1429.6598 Heavy Atoms 54 Complexity 1170.0 InChI Key: OHDKFQMAJTYPTJ-UHFFFAOYSA-N. SMILES: CC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCOCCOCCOCCOCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)C)I)I)C(=O)O)I.

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