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Citric acid-[2,2,4,4-d4]

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General Information
Catalog: BLP-011632
CAS: 147664-83-3
Molecular Formula: C6H4D4O7
Molecular Weight: 196.15

Chemical Structure

Description	Citric acid-[2,2,4,4-d4] is the labelled analogue of citric acid. Citric acid is found in many fruits and vegetables, especially in citrus fruits. It participates in biological process in humans such as citric acid cycle.
Synonyms	Citric acid-2,2,4,4-d4; 2-Hydroxy-1,2,3-propanetricarboxylic-d4 Acid; Chemfill-d4; Citretten-d4; 2-Hydroxypropan-d4-1,2,3-tricarboxylic Acid; Citro-d4; 3-Carboxy-3-hydroxypentane-d4-1,5-dioic Acid; Aciletten-d4; Celenex 3P6-d4
IUPAC Name	1,1,3,3-tetradeuterio-2-hydroxypropane-1,2,3-tricarboxylic acid
Related CAS	77-92-9 (unlabelled)
Isomeric SMILES	[2H]C([2H])(C(=O)O)C(C(=O)O)(C([2H])([2H])C(=O)O)O
Canonical SMILES	C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI	InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i1D2,2D2
InChI Key	KRKNYBCHXYNGOX-LNLMKGTHSA-N
Melting Point	153-159°C
Purity	98% by CP; 97% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	White to Off-white Solid
Storage	Store at -20°C