The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
Phosphocholine Chloride Calcium Salt Tetrahydrate - 10mM in Water, high purity , CAS No.72556-74-2
Basic Description
Synonyms
72556-74-2 | Phosphocholine chloride calcium salt tetrahydrate | Calcium 2-(trimethylammonio)ethyl phosphate chloride tetrahydrate | Choline chloride O-(calcium phosphate) | Choline chloride phosphate calcium salt | Phosphorylcholine chloride (calcium salt tetrahyd
Specifications & Purity
10mM in Water
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
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 Organic calcium salts Organooxygen compounds Organic oxides Organic chloride salts Hydrocarbon derivatives Amines Organic cations
Molecular Framework
Aliphatic acyclic compounds
Substituents
Phosphocholine - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Tetraalkylammonium salt - Organic calcium salt - Organic metal halide - Amine - Organic oxygen compound - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic cation - 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
IUPAC Name
calcium;2-(trimethylazaniumyl)ethyl phosphate;chloride;tetrahydrate
INCHI
InChI=1S/C5H14NO4P.Ca.ClH.4H2O/c1-6(2,3)4-5-10-11(7,8)9;;;;;;/h4-5H2,1-3H3,(H-,7,8,9);;1H;4*1H2/q;+2;;;;;/p-2
InChIKey
JGULOZKZZMBGFX-UHFFFAOYSA-L
Smiles
C[N+](C)(C)CCOP(=O)([O-])[O-].O.O.O.O.[Cl-].[Ca+2]
Isomeric SMILES
C[N+](C)(C)CCOP(=O)([O-])[O-].O.O.O.O.[Cl-].[Ca+2]
WGK Germany
3
Alternate CAS
4826-71-5
Molecular Weight
257.66(as Anhydrous)
Beilstein
4835230
Reaxy-Rn
4836651
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4836651&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
329.730 g/mol
XLogP3
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
9
Rotatable Bond Count
3
Exact Mass
329.032 Da
Monoisotopic Mass
329.032 Da
Topological Polar Surface Area
76.400 Ų
Heavy Atom Count
17
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
7
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
