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1-tridecanoyl-2-hydroxy-sn-glycero-3-phosphocholine - >99%, high purity , CAS No.20559-17-5

COA

Grade & Purity:

≥99%

Cas Number: 20559-17-5
Molecular Weight: 453.55
PubChem CID: 24779450
PubChem SID: 504769823

In stock

Item Number

T130490

Grouped product items
SKU	Size	Availability	Price	Qty
T130490-5mg	5mg	2	$150.90

Basic Description

Synonyms	1-tridecanoyl-sn-glycero-3-phosphocholine \| 20559-17-5 \| PC(13:0/0:0) \| [(2R)-2-hydroxy-3-tridecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate \| CHEMBL447595 \| CHEBI:187987 \| DTXSID801347065 \| LMGP01050001 \| (2R)-2-Hydroxy-3-(tridecanoyloxy)propyl 2-(trimethylammo
Specifications & Purity	≥99%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Product Describtion: >99% (LPC; may contain up to 10% of the 2-LPC isomer, TLC) Product Application： 13:0 Lyso PC has been used: 1.as an internal standard: for the quantification of targeted infant metabolites 2.used as an internal standard in liquid chromatography-mass spectrometry (LC-MS) to identify changes in lipid profile of eggs 3.as an internal standard for tandem mass spectrometry analysis of lipid species

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Glycerophospholipids
    - Subclass Glycerophosphocholines
      - Level5 Lysophosphatidylcholines
        Level6 1-acyl-sn-glycero-3-phosphocholines

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Glycerophospholipids
Subclass	Glycerophosphocholines
Intermediate Tree Nodes	Lysophosphatidylcholines
Direct Parent	1-acyl-sn-glycero-3-phosphocholines
Alternative Parents	Phosphocholines Fatty acid esters Dialkyl phosphates Tetraalkylammonium salts Secondary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines Organic cations
Molecular Framework	Aliphatic acyclic compounds
Substituents	1-acyl-sn-glycero-3-phosphocholine - Phosphocholine - Choline - Fatty acid ester - Dialkyl phosphate - Organic phosphoric acid derivative - Fatty acyl - Phosphoric acid ester - Alkyl phosphate - Tetraalkylammonium salt - Quaternary ammonium salt - Carboxylic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Alcohol - Organic cation - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as 1-acyl-sn-glycero-3-phosphocholines. These are glycerophosphocholines in which the glycerol is esterified with a fatty acid at O-1 position, and linked at position 3 to a phosphocholine.
External Descriptors	Monoacylglycerophosphocholines
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504769823
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504769823
IUPAC Name	[(2R)-2-hydroxy-3-tridecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
INCHI	InChI=1S/C21H44NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22(2,3)4/h20,23H,5-19H2,1-4H3/t20-/m1/s1
InChIKey	WNRCJJWBAXNAPE-HXUWFJFHSA-N
Smiles	CCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
Isomeric SMILES	CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
Molecular Weight	453.55
Reaxy-Rn	5641538
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5641538&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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Lot Number	Certificate Type	Date	Item
K2228698	Certificate of Analysis	Sep 21, 2023	T130490

Chemical and Physical Properties

Molecular Weight	453.500 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	21
Exact Mass	453.286 Da
Monoisotopic Mass	453.286 Da
Topological Polar Surface Area	105.000 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	474.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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

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