Acesulfame Aspartame Salt

Analyte Name

Aspartame Acesulfame

CAS Number

106372-55-8

Molecular Formula

C14 H18 N2 O5 . C4 H5 N O4 S

Molecular Weight

457.45

Accurate Mass

457.1155

SMILES

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O.CC2=CC(=O)NS(=O)(=O)O2

InChI

1-3-2-4(6)5-10(7,8)9-3/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18), InChI=1S/C14H18N2O5.C4H5NO4S/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18, 2H,1H3,(H,5,6)/t10-,11-, /m0./s1

IUPAC

(3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid;6-methyl-2,2-dioxooxathiazin-4-one

Alternate CAS Number

Free acid: 33665-90-6

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

Purity

>95% (HPLC)