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Aspartame-[d5]

General Information
Catalog: BLP-011794
CAS: 1356849-17-6
Molecular Formula: C14H13D5N2O5
Molecular Weight: 299.34
Chemical Structure
Aspartame-[d5]
Description Aspartame-[d5] is the labelled analogue of Aspartame. Aspartame is an artificial, non-saccharide sweetener used as a sugar substitute in some foods and beverages.
Synonyms Aspartame D5; L-α-Aspartyl-L-phenylalanine 2-(Methyl-d5) Ester; Canderel-d5; Dipeptide-d5 Sweetener; Equal-d5; Finn-d5; L-Aspartame-d5; NutraSweet-d5; Pal Sweet-d5; Palsweet Diet-d5; Sweet Dipeptide-d5; Zero-Cal-d5; α-Aspartame-d5; α-L-Aspartyl-L-phenylalanine (Methyl-d5) Ester; α-Sweet-d5
IUPAC Name (3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-(2,3,4,5,6-pentadeuteriophenyl)propan-2-yl]amino]-4-oxobutanoic acid
Related CAS 22839-47-0 (unlabelled)
Isomeric SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])C[C@@H](C(=O)OC)NC(=O)[C@H](CC(=O)O)N)[2H])[2H]
Canonical SMILES COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N
InChI InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1/i2D,3D,4D,5D,6D
InChI Key IAOZJIPTCAWIRG-HEPISUNPSA-N
Melting Point 165-169°C
Purity ≥95%; ≥97% atom D
Solubility Soluble in Aqueous Acid (Sparingly), DMSO (Slightly), Methanol (Slightly, Heated)
Appearance White to Off-white Solid
Storage Store at 2-8°C under inert atmosphere

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