GRADE & PURITY ≥98%

Synonyms

Phosphocholine chloride sodium salt hydrate | Phosphorylcholine Chloride Sodium Salt | J-010503 | EINECS 240-953-1 | DTXSID90937578 | HY-W127640 | Sodium 2-(trimethylammonio)ethyl phosphate chloride | MFCD09037359 | Sodium chloride 2-(trimethylazaniumyl)e

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

Phosphocholine chloride sodium salt hydrate | Phosphorylcholine Chloride Sodium Salt | J-010503 | EINECS 240-953-1 | DTXSID90937578 | HY-W127640 | Sodium 2-(trimethylammonio)ethyl phosphate chloride | MFCD09037359 | Sodium chloride 2-(trimethylazaniumyl)e

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504755822
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755822
• Canonical Smiles: C[N+](C)(C)CCOP(=O)([O-])[O-].[Na+].[Na+].[Cl-]
• IUPAC Name: disodium;2-(trimethylazaniumyl)ethyl phosphate;chloride
• InChIKey: HMCRHROSIPYRGL-UHFFFAOYSA-L
• INCHI: 1S/C5H14NO4P.ClH.2Na/c1-6(2,3)4-5-10-11(7,8)9;;;/h4-5H2,1-3H3,(H-,7,8,9);1H;;/q;;2*+1/p-2
• Isomeric SMILES: C[N+](C)(C)CCOP(=O)([O-])[O-].[Na+].[Na+].[Cl-]
• PubChem CID: 85635
• Molecular Weight: 263.57（Anhydrous）

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Cholines
• Direct Parent: Phosphocholines
• Alternative Parents: Alkyl phosphates Tetraalkylammonium salts Organic metal halides Organopnictogen compounds Organooxygen compounds Organic sodium salts Organic oxides Organic chloride salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Phosphocholine - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Tetraalkylammonium salt - Organic alkali metal salt - Organic metal halide - Hydrocarbon derivative - Organic chloride salt - Organic sodium salt - Organic salt - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Amine - Aliphatic acyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in water
• Sensitivity: Hygroscopic
• Molecular Weight: 263.570 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 263.007 Da
• Monoisotopic Mass: 263.007 Da
• Topological Polar Surface Area: 72.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 147.000
• 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: 4

XLogP3