O-(Decylphosphoryl)choline[Fos-choline-10] - ≥98% , CAS No.70504-28-8

CAS: 70504-28-8 Cat. No.: D769832 Peso molecular: 323.41 PubChem CID: 194345

GRADE & PURITY ≥98%

Synonyms

Decyl (2-(trimethylammonio)ethyl) phosphate | N-Decylphosphoryl choline | decyl 2-(trimethylammonio)ethyl phosphate | N-Decylphosphorylcholine | Ethanaminium,2-[[(decyloxy)hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

Decyl (2-(trimethylammonio)ethyl) phosphate | N-Decylphosphoryl choline | decyl 2-(trimethylammonio)ethyl phosphate | N-Decylphosphorylcholine | Ethanaminium, 2-[[(decyloxy)hydroxyphosphinyl]oxy]-N, N, N-trimethyl-, inner salt

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C
• IUPAC Name: decyl 2-(trimethylazaniumyl)ethyl phosphate
• InChIKey: VVVDGSCGBGBGFN-UHFFFAOYSA-N
• INCHI: 1S/C15H34NO4P/c1-5-6-7-8-9-10-11-12-14-19-21(17,18)20-15-13-16(2,3)4/h5-15H2,1-4H3
• Isómeros SMILES: CCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C
• PubChem CID: 194345
• Peso molecular: 323.41

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

• Sensibilidad: Hygroscopic
• Peso molecular: 323.410 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 14
• Exact Mass: 323.223 Da
• Monoisotopic Mass: 323.223 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 284.000
• Isotope Atom Count: 0
• 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