3-carboxy-3,5-dihydroxy-5-oxopentanoate(1-ethoxy-5,5-dimethyl-1-oxohexan-2-yl)-diethylazanium

3-carboxy-3,5-dihydroxy-5-oxopentanoate;(1-ethoxy-5,5-dimethyl-1-oxohexan-2-yl)-diethylazanium

CAS: 58568-13-1

Molecular Formula	`C20H37NO9`
Molecular Weight	435.5 g/mol
Topological Polar Surface Area	166.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	13
Exact Mass	435.24683
Heavy Atoms	30
Complexity	457.0

Chemical Identifiers

CAS Number	58568-13-1
SMILES	`CC[NH+](CC)C(CCC(C)(C)C)C(=O)OCC.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O`
InChIKey	`MGHIUINRYIGFDE-UHFFFAOYSA-N`

📖 Product Overview

3-carboxy-3,5-dihydroxy-5-oxopentanoate(1-ethoxy-5,5-dimethyl-1-oxohexan-2-yl)-diethylazanium (CAS: 58568-13-1) is a chemical compound with molecular formula C20H37NO9 and molecular weight 435.5 g/mol. Its IUPAC systematic name is 3-carboxy-3,5-dihydroxy-5-oxopentanoate;(1-ethoxy-5,5-dimethyl-1-oxohexan-2-yl)-diethylazanium. Topological Polar Surface Area 166.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 9 Rotatable Bonds 13 Exact Mass 435.24683 Heavy Atoms 30 Complexity 457.0 InChI Key: MGHIUINRYIGFDE-UHFFFAOYSA-N. SMILES: CC[NH+](CC)C(CCC(C)(C)C)C(=O)OCC.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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