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Dodecylphosphorylcholine-[d38]

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General Information
Catalog: BLP-009256
CAS: 130890-78-7
Molecular Formula: C17D38NO4P
Molecular Weight: 389.69

Chemical Structure

Description	Labelled Dodecylphosphorylcholine. Dodecylphosphocholine is a detergent used in NMR for membrane protein structure determination.
Synonyms	N-Dodecylphosphocholine-D38; 2-[[(dodecyl-d25-oxy)hydroxyphosphinyl]oxy]-N,N,N-tri(methyl-d3)-ethan-1,1,2,2-d4-aminium, inner salt
IUPAC Name	1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosadeuteriododecyl [1,1,2,2-tetradeuterio-2-[tris(trideuteriomethyl)azaniumyl]ethyl] phosphate
Related CAS	29557-51-5 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])OP(=O)([O-])OC([2H])([2H])C([2H])([2H])[N+](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
Canonical SMILES	CCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C
InChI	InChI=1S/C17H38NO4P/c1-5-6-7-8-9-10-11-12-13-14-16-21-23(19,20)22-17-15-18(2,3)4/h5-17H2,1-4H3/i1D3,2D3,3D3,4D3,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2
InChI Key	QBHFVMDLPTZDOI-DHIOKLJKSA-N
Melting Point	247-249°C (lit.)
Purity	98 atom % D
Appearance	Powder
Shelf Life	1 Year
Storage	Store at -20°C