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DL-threo-β-(3,4-Methylenedioxyphenyl)serine-[13C2,15N] Acetate Salt

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General Information
Catalog: BLP-006222
CAS: 1329610-57-2
Molecular Formula: C8[13C]2H11[15N]O5.C2H4O2
Molecular Weight: 288.23

Chemical Structure

Synonyms	DL-threo-β-(3,4-Methylenedioxyphenyl)serine-13C2,15N Acetate Salt; (R,S)-rel-α-Amino-β-hydroxy-1,3-benzodioxole-5-propanoic Acid-13C2,15N Acetate Salt
IUPAC Name	acetic acid;(2R,3S)-2-(15N)azanyl-3-(1,3-benzodioxol-5-yl)-3-hydroxy(2,3-13C2)propanoic acid
Related CAS	88375-62-6 (unlabelled free base)
Canonical SMILES	CC(=O)O.C1OC2=C(O1)C=C(C=C2)C(C(C(=O)O)N)O
InChI	InChI=1S/C10H11NO5.C2H4O2/c11-8(10(13)14)9(12)5-1-2-6-7(3-5)16-4-15-6;1-2(3)4/h1-3,8-9,12H,4,11H2,(H,13,14);1H3,(H,3,4)/t8-,9+;/m1./s1/i8+1,9+1,11+1;
InChI Key	MLMBILXCWROGFT-YVOIDUNUSA-N
Melting Point	127-130°C
Purity	≥95%; ≥98% atom 13C, ≥98% atom 15N
Solubility	Slightly soluble in Methanol, Water
Appearance	Pale Beige Solid
Storage	Store at 2-8°C