1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine-N,N-dimethyl - ≥95% , CAS No.3922-61-0

CAS: 3922-61-0 Cat. No.: D130478 Peso molecular: 720.01

GRADE & PURITY ≥95%

Synonyms

1,2-DIHEXADECANOYL-SN-GLYCERO-3-PHOSPHO[DIMETHYLAMINOETHANOL] | 1,2-Dipalmitoyl-sn-glycero-3-phospho-N,N-dimethylethanolamine, ~99% | 1,1'-[(1R)-1-(3-Hydroxy-7-methyl-3-oxido-2,4-dioxa-7-aza-3-phosphaoct-1-yl)-1,2-ethanediyl] dihexadecanoate | Hexadecanoi

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

228,229

Descripción general

16:0 Dimethyl PE or phosphatidyl-N,N-dimethylethanolamine (PDME) has been used as a substrate for phosphatidylethanolamine (PE) N-methyl transferase.

Specifications

Sinónimos

1, 2-DIHEXADECANOYL-SN-GLYCERO-3-PHOSPHO[DIMETHYLAMINOETHANOL] | 1, 2-Dipalmitoyl-sn-glycero-3-phospho-N, N-dimethylethanolamine, ~99% | 1, 1'-[(1R)-1-(3-Hydroxy-7-methyl-3-oxido-2, 4-dioxa-7-aza-3-phosphaoct-1-yl)-1, 2-ethanediyl] dihexadecanoate | Hexadecanoi

Especificaciones y pureza

≥95%

Mecanismos bioquímicos y fisiológicos

16:0 Dimethyl PE or phosphatidyl-N, N-dimethylethanolamine (PDME) acts as an intermediate for the synthesis of phosphatidylcholine (PC).

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCCCCCCCCCC
• IUPAC Name: [(2R)-3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
• InChIKey: SKWDCOTXHWCSGS-DIPNUNPCSA-N
• INCHI: 1S/C39H78NO8P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40(3)4)48-39(42)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h37H,5-36H2,1-4H3,(H,43,44)/t37-/m1/s1
• Isómeros SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCCCCCCCCCC
• Peso molecular: 720.01
• Reaxy-Rn: 2033012
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2033012&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Glycerophospholipids
      • Subclass Glycerophosphoethanolamines
        • Level5 Phosphatidylethanolamines
          • Level6 Dimethylphosphatidylethanolamines

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Glycerophospholipids
• Subclass: Glycerophosphoethanolamines
• Intermediate Tree Nodes: Phosphatidylethanolamines
• Direct Parent: Dimethylphosphatidylethanolamines
• Alternative Parents: Phosphoethanolamines Fatty acid esters Dialkyl phosphates Dicarboxylic acids and derivatives Trialkylamines Carboxylic acid esters Amino acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dimethylphosphatidylethanolamine - Phosphoethanolamine - Fatty acid ester - Dialkyl phosphate - Dicarboxylic acid or derivatives - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Fatty acyl - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dimethylphosphatidylethanolamines. These are lipids with a structure containing a glycerol moiety linked at its terminal C3 atom to a N,N-dimethylphosphoethanolamine group, and at its C1 and C2 terminal atoms by an acyl group.
• External Descriptors: Diacylglycerophosphoethanolamines

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

Propiedades químicas y físicas

• Peso molecular: 720.000 g/mol
• XLogP3: 11.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 40
• Exact Mass: 719.547 Da
• Monoisotopic Mass: 719.547 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 49
• Formal Charge: 0
• Complexity: 797.000
• 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