Dodecylphosphorylcholine-d38

Base Information

• Chemical Name: Dodecylphosphorylcholine-d38
• CAS No.: 130890-78-7
• Molecular Formula: C17D38 N O4 P
• Molecular Weight: 410.16
• DSSTox Substance ID: DTXSID90583852
• Mol file: 130890-78-7.mol

Synonyms:Dodecylphosphorylcholine-d38;Dodecylphosphocholine-d38;130890-78-7;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;Ethan-1,1,2,2-d4-aminium, 2-[[(dodecyl-d25-oxy)hydroxyphosphinyl]oxy]-N,N,N-tri(methyl-d3)-, inner salt;DTXSID90583852;HY-116013S;Dodecylphosphorylcholine-d38, 98 atom % D;CS-0375865;J-005894;MAPCHO(R)-12-d38, dodecyl phosphocholine-d38, powder;(~2~H_25_)Dodecyl 2-{tris[(~2~H_3_)methyl]azaniumyl}(~2~H_4_)ethyl phosphate;Ethan-1,1,2,2-d4-aminium,2-[[(dodecyl-d25-oxy)hydroxyphosphinyl]oxy]-N,N,N-tri(methyl-d3)-,inner salt(9ci)

Chemical Property of Dodecylphosphorylcholine-d38

Chemical Property:

• Melting Point: 247-249 °C(lit.)
• PSA: 68.40000
• LogP: 5.18530
• Storage Temp.: -20°C
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 16
• Exact Mass: 389.49236204
• Heavy Atom Count: 23
• Complexity: 310

Purity/Quality:

97% ^*data from raw suppliers

Dodecylphosphocholine(D38,98%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C
• 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]
• Description: Dodecylphosphocholine-d38 is intended for use as an internal standard for the quantification of dodecylphosphocholine by GC- or LC-MS. Dodecylphosphocholine is a detergent that is commonly used for membrane protein structure determination using NMR. It has also been used to generate membrane mimetic micelles and to characterize pore formation by the influenza M2 transmembrane domain within a synthetic membrane. Dodecylphosphocholine micelles induce amyloid fibril formation by the prion protein (PrP) β-strand (PrP (110-136)). Dodecylphosphocholine has a critical micelle concentration (CMC) of approximately 1.5 mM.
• Uses: MAPCHO?-12-d38 has been used in the preparation of drug complexes used as a sample during nuclear magnetic resonance (NMR) spectroscopy.

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