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Dodecylphosphocholine (D38)

Catalog Number ACM130890787-2
CAS 130890-78-7
Structure Structure
Synonyms Dodecylphosphorylcholine-D38
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
Molecular Weight 389.70
Molecular Formula C17D38NO4P
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 (477-480 °F) (lit.)
Purity 98%
Appearance White solid
Chemical Formula CD3(CD2)11OP(=O)(O-)O(CD2)2N+(CD3)3
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]
Isotopic Enrichment 98 atom % D
Stability Two years after receipt. Re-QC after 2 years.
Unlabeled CAS 29557-51-5
Unlabeled Synonyms Phosphocholine dodecyl ester
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