1,2-Di-O-hexadecyl-sn-glycero-3-phosphoethanolamine - ≥98% , CAS No.61423-61-8

CAS: 61423-61-8 Cat. No.: D355400 Molecular Weight: 663.99

GRADE & PURITY ≥98%

Synonyms

1,2-Dihexadecyl-sn-glycero-3-phosphoethanolamine, >=99.0% (TLC) | 2-Aminoethyl (R)-2,3-bis(hexadecyloxy)propyl hydrogen phosphate | MFCD00042830 | Q27144185 | DTXSID60210365 | (2R)-3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexadecyloxy)propyl hexadec

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

1, 2-Dihexadecyl-sn-glycero-3-phosphoethanolamine, >=99.0% (TLC) | 2-Aminoethyl (R)-2, 3-bis(hexadecyloxy)propyl hydrogen phosphate | MFCD00042830 | Q27144185 | DTXSID60210365 | (2R)-3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexadecyloxy)propyl hexadec

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCCN)OCCCCCCCCCCCCCCCC
• IUPAC Name: 2-aminoethyl [(2R)-2,3-dihexadecoxypropyl] hydrogen phosphate
• InChIKey: UXDBPOWEWOXJCE-DIPNUNPCSA-N
• INCHI: 1S/C37H78NO6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-41-35-37(36-44-45(39,40)43-34-31-38)42-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36,38H2,1-2H3,(H,39,40)/t37-/m1/s1
• Isomeric SMILES: CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN)OCCCCCCCCCCCCCCCC
• WGK Germany: 3
• Molecular Weight: 663.99
• Reaxy-Rn: 7501065
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7501065&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Glycerophospholipids
      • Subclass Glycerophosphoethanolamines

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Glycerophospholipids
• Subclass: Glycerophosphoethanolamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkylglycerophosphoethanolamines
• Alternative Parents: Phosphoethanolamines Glycerol ethers Dialkyl phosphates Dialkyl ethers Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkylglycero-3-phosphoethanolamine - Phosphoethanolamine - Dialkyl phosphate - Glycerol ether - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Dialkyl ether - Ether - Amine - Primary amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkylglycerophosphoethanolamines. These are glycerophosphoglycerols that carry exactly two chains attached to the glycerol moiety through ether linkages.
• External Descriptors: Dialkylglycerophosphoethanolamines

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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Melt Point(°C): 203.9-206.1° C
• Molecular Weight: 664.000 g/mol
• XLogP3: 11.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 39
• Exact Mass: 663.557 Da
• Monoisotopic Mass: 663.557 Da
• Topological Polar Surface Area: 100.000 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 611.000
• 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