Compound C21H28N2O8

2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;diethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium

CAS: 985-69-3

Molecular Formula	`C21H28N2O8`
Molecular Weight	436.5 g/mol
Topological Polar Surface Area	165.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	10
Exact Mass	436.18457
Heavy Atoms	31
Complexity	446.0

Chemical Identifiers

CAS Number	985-69-3
SMILES	`CC[NH+](CC)CCC1=CC(=NO1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O`
InChIKey	`IONVJVZOGJBIOM-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H28N2O8 (CAS: 985-69-3) is a chemical compound with molecular formula C21H28N2O8 and molecular weight 436.5 g/mol. Its IUPAC systematic name is 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;diethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium. Topological Polar Surface Area 165.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 9 Rotatable Bonds 10 Exact Mass 436.18457 Heavy Atoms 31 Complexity 446.0 InChI Key: IONVJVZOGJBIOM-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CCC1=CC(=NO1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O.

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