BRN 2800657

3-(acetamidomethyl)-5-[[8-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodoanilino]-8-oxooctanoyl]amino]-2,4,6-triiodobenzoic acid

CAS: 25901-34-2

Molecular Formula	`C28H28I6N4O8`
Molecular Weight	1310.0 g/mol
LogP	4.8
Topological Polar Surface Area	191.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	8
Rotatable Bonds	15
Exact Mass	1309.6176
Heavy Atoms	46
Complexity	1040.0

Chemical Identifiers

CAS Number	25901-34-2
SMILES	`CC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCCCCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)C)I)I)C(=O)O)I`
InChIKey	`JHDUWYUIMCFVJL-UHFFFAOYSA-N`

📖 Product Overview

BRN 2800657 (CAS: 25901-34-2) is a chemical compound with molecular formula C28H28I6N4O8 and molecular weight 1310.0 g/mol. Its IUPAC systematic name is 3-(acetamidomethyl)-5-[[8-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodoanilino]-8-oxooctanoyl]amino]-2,4,6-triiodobenzoic acid. LogP 4.8 Topological Polar Surface Area 191.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 8 Rotatable Bonds 15 Exact Mass 1309.6176 Heavy Atoms 46 Complexity 1040.0 InChI Key: JHDUWYUIMCFVJL-UHFFFAOYSA-N. SMILES: CC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCCCCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)C)I)I)C(=O)O)I.

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