Dimyristoylphosphatidylcholine , CAS No.83199-49-9

CAS: 83199-49-9 Cat. No.: D668917 Fórmula: C₃₆H₇₃NO₈P⁺ Peso molecular: 678.9 PubChem CID: 5313082

Synonyms

DIMYRISTOYLPHOSPHATIDYLCHOLINE|2-[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium|Dimyristoyl Phosphatidylcholine,1, 2-dimyristoyl-sn-glycero-3-phosphocholine|(4R,7R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-(tetradecanoyloxy)-3,5,9-trioxa-4-phosphatricosan-1-aminium 4-oxide|3,5,9-Trioxa-4-phosphatricosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxotetradecyl)oxy]-, 4-oxide, (R)-

Storage

Room temperature

Especificações

Sinónimos

DIMYRISTOYLPHOSPHATIDYLCHOLINE | 2-[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium | Dimyristoyl Phosphatidylcholine,1, 2-dimyristoyl-sn-glycero-3-phosphocholine | (4R,7R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-(tetradecanoyloxy)-3,5,9-trioxa-4-phosphatricosan-1-aminium 4-oxide | 3,5,9-Trioxa-4-phosphatrico Show more

Condições de armazenamento de armazenamento

Room temperature

Propriedades do produto

ALogP

11.4

Nomes e identificadores

Sorrisos canónicos

CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC

IUPAC Name

2-[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

InChIKey

CITHEXJVPOWHKC-UUWRZZSWSA-O

INCHI

1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/p+1/t34-/m1/s1

SMILES isoméricas

CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC

PubChem CID

5313082

Peso molecular

678.9

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Glycerophospholipids
      • Subclass Glycerophosphocholines

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Glycerophospholipids
• Subclass: Glycerophosphocholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phosphatidylcholines
• Alternative Parents: Phosphocholines Fatty acid esters Dialkyl phosphates Dicarboxylic acids and derivatives Tetraalkylammonium salts Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Diacylglycero-3-phosphocholine - Phosphocholine - Choline - Fatty acid ester - Dialkyl phosphate - Dicarboxylic acid or derivatives - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Fatty acyl - Tetraalkylammonium salt - Quaternary ammonium salt - Carboxylic acid ester - Carboxylic acid derivative - Organic oxide - Carbonyl group - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phosphatidylcholines. These are glycerophosphocholines in which the two free -OH are attached to one fatty acid each through an ester linkage.
• 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

Alvos associados (humanos)

FABP3 Tchem Fatty acid-binding protein, heart (1 Activities)

Discover Target: FABP3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 678.900 g/mol
• XLogP3: 11.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 36
• Exact Mass: 678.507 Da
• Monoisotopic Mass: 678.507 Da
• Topological Polar Surface Area: 108.000 Ų
• Heavy Atom Count: 46
• Formal Charge: 1
• Complexity: 774.000
• 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

Perguntas frequentes

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 83199-49-9, the molecular formula is C36H73NO8P?, and the molecular weight is 678.9 g/mol. InChIKey CITHEXJVPOWHKC-UUWRZZSWSA-O.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.