BRN 2800768

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

CAS: 25901-39-7

Molecular Formula	`C28H28I6N4O10`
Molecular Weight	1342.0 g/mol
LogP	2.7
Topological Polar Surface Area	209.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	10
Rotatable Bonds	17
Exact Mass	1341.6074
Heavy Atoms	48
Complexity	1070.0

Chemical Identifiers

CAS Number	25901-39-7
SMILES	`CC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCOCCOCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)C)I)I)C(=O)O)I`
InChIKey	`VAUQOMROEVVLQH-UHFFFAOYSA-N`

📖 Product Overview

BRN 2800768 (CAS: 25901-39-7) is a chemical compound with molecular formula C28H28I6N4O10 and molecular weight 1342.0 g/mol. Its IUPAC systematic name is 3-(acetamidomethyl)-5-[3-[2-[3-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodoanilino]-3-oxopropoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid. LogP 2.7 Topological Polar Surface Area 209.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 10 Rotatable Bonds 17 Exact Mass 1341.6074 Heavy Atoms 48 Complexity 1070.0 InChI Key: VAUQOMROEVVLQH-UHFFFAOYSA-N. SMILES: CC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCOCCOCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)C)I)I)C(=O)O)I.

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