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2-Keto-4-methyl-[d3]-pentanoic acid sodium salt

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General Information
Catalog: BLP-005682
CAS: 93523-67-2
Molecular Formula: C6H5D3NaO3
Molecular Weight: 155.14

Chemical Structure

Description	2-Keto-4-methyl-[d3]-pentanoic acid sodium salt is an isotope analogue of 4-methyl-2-oxo-pentanoic acid, monosodium salt. 4-methyl-2-Oxovalerate is an immediate precursor and metabolite of L-leucine. It is a precursor leading to the synthesis of 2-methylpropyl glucosinolate, via L-leucine, in plants.
Synonyms	2-Ketoisocaproic acid-d3 (4-methyl-d3) sodium salt
IUPAC Name	sodium;5,5,5-trideuterio-4-methyl-2-oxopentanoate
Related CAS	4502-00-5 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C(C)CC(=O)C(=O)[O-].[Na+]
Canonical SMILES	CC(C)CC(=O)C(=O)[O-].[Na+]
InChI	InChI=1S/C6H10O3.Na/c1-4(2)3-5(7)6(8)9;/h4H,3H2,1-2H3,(H,8,9);/q;+1/p-1/i1D3;
InChI Key	IXFAZKRLPPMQEO-NIIDSAIPSA-M
Melting Point	280°C (dec.)
Purity	97% by CP; 98% atom D
Appearance	Solid