Dodecylphosphorylcholine-d₃₈ - ≥98 atom% D , CAS No.130890-78-7

CAS: 130890-78-7 Cat. No.: D471924 Peso molecular: 389.7

GRADE & PURITY ≥98 atom% D

Synonyms

DTXSID90583852 | (~2~H_25_)Dodecyl 2-{tris[(~2~H_3_)methyl]azaniumyl}(~2~H_4_)ethyl phosphate | Dodecylphosphorylcholine-d38 | 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(trideuteriometh

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Descripción general

Dodecylphosphocholine-d38 is the deuterium labeled Dodecylphosphocholine. Dodecylphosphocholine is a detergent widely utilized in NMR studies of membrane proteins.

It has been used to generate membrane mimetic micelles and to characterize pore formation by the influenza M2 transmembrane domain within a synthetic membrane.

Specifications

Sinónimos

DTXSID90583852 | (~2~H_25_)Dodecyl 2-{tris[(~2~H_3_)methyl]azaniumyl}(~2~H_4_)ethyl phosphate | Dodecylphosphorylcholine-d38 | 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(trideuteriometh

Especificaciones y pureza

≥98 atom% D

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature, Argon charged

Enviado en

Normal

Pureza

≥98 atom% D

Nombres e identificadores

• Pubchem Sid: 504768223
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768223
• Sonrisas canónicas: [O-]P(OC([2H])(C([N+](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])([2H])[2H])[2H])(OC([2H])(C([2H])(C([2H])(C([2H])(C([2H])(C([2H])(C([2H])(C([2H])(C([2H])(C([2H])(C([2H])(C([2H])([2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H]
• 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
• InChIKey: QBHFVMDLPTZDOI-DHIOKLJKSA-N
• 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
• Isómeros 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]
• CAS alternativo: 29557-51-5 (Unlabeled)
• Peso molecular: 389.7
• Reaxy-Rn: 3980150
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3980150&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Quaternary ammonium salts
        • Level5 Cholines
          • Level6 Phosphocholines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Cholines
• Direct Parent: Phosphocholines
• Alternative Parents: Dialkyl phosphates Tetraalkylammonium salts Organopnictogen compounds Organooxygen compounds Organic salts Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Phosphocholine - Dialkyl phosphate - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Tetraalkylammonium salt - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Amine - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phosphocholines. These are compounds containing a [2-(trimethylazaniumyl)ethoxy]phosphonic acid or derivative.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: Soluble in organic solvents such as ethanol, DMSO, and dimethyl formamide(DMF).
• Sensibilidad: Hygroscopic
• Punto de inflamación (°F): Not applicable
• Punto de inflamación (°C): Not applicable
• Punto de fusión (°C): 247-249℃ (lit.)
• Peso molecular: 389.690 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 16
• Exact Mass: 389.492 Da
• Monoisotopic Mass: 389.492 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 310.000
• Isotope Atom Count: 38
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1