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Phosphocholine Chloride Sodium Salt Hydrate - ≥98%, high purity , CAS No.16904-96-4
Basic Description
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 | CS-0185840 | MFCD09037359 | Sodium chloride 2-(trimeth
Specifications & Purity
≥98%
Storage Temp
Room temperature,Argon charged
Shipped In
Normal
Taxonomic Classification
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.
Names and Identifiers
Pubchem Sid
504755822
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504755822
IUPAC Name
disodium;2-(trimethylazaniumyl)ethyl phosphate;chloride
INCHI
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
InChIKey
HMCRHROSIPYRGL-UHFFFAOYSA-L
Smiles
C[N+](C)(C)CCOP(=O)([O-])[O-].[Na+].[Na+].[Cl-]
Isomeric SMILES
C[N+](C)(C)CCOP(=O)([O-])[O-].[Na+].[Na+].[Cl-]
PubChem CID
85635
Molecular Weight
263.57（Anhydrous）
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in water
Sensitivity
Hygroscopic
Molecular Weight
263.570 g/mol
XLogP3
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
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A2305682