Compound C20H28I3N3O9 structure

Compound C20H28I3N3O9

5-[acetyl-(2-hydroxy-3-methoxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide

CAS: 89797-00-2
Molecular Formula C20H28I3N3O9
Molecular Weight 835.2 g/mol
LogP -2.5
Topological Polar Surface Area 189.0 A2
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 9
Rotatable Bonds 13
Exact Mass 834.896
Heavy Atoms 35
Complexity 668.0

Chemical Identifiers

CAS Number 89797-00-2
SMILES CC(=O)N(CC(COC)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I
InChIKey IUNJANQVIJDFTQ-UHFFFAOYSA-N

📖 Product Overview

Compound C20H28I3N3O9 (CAS: 89797-00-2) is a chemical compound with molecular formula C20H28I3N3O9 and molecular weight 835.2 g/mol. Its IUPAC systematic name is 5-[acetyl-(2-hydroxy-3-methoxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide. LogP -2.5 Topological Polar Surface Area 189.0 A2 Hydrogen Bond Donors 7 Hydrogen Bond Acceptors 9 Rotatable Bonds 13 Exact Mass 834.896 Heavy Atoms 35 Complexity 668.0 InChI Key: IUNJANQVIJDFTQ-UHFFFAOYSA-N. SMILES: CC(=O)N(CC(COC)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I.

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