1,5-Dihexadecyl N-(3-carboxy-1-oxopropyl)-L-glutamate , CAS No.125401-63-0

CAS: 125401-63-0 Cat. No.: D651704 Molecular Weight: 696.05 PubChem CID: 10327351

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

1,5-Dihexadecyl N-(3-carboxy-1-oxopropyl)-L-glutamate is a lipid. 1,5-Dihexadecyl N-(3-carboxy-1-oxopropyl)-L-glutamate can be used for the synthesis of phospholipid vesicle and improve the encapsulation efficiency of proteins.

Form:Solid

Specifications

Biochemical and Physiological Mechanisms

1, 5-Dihexadecyl N-(3-carboxy-1-oxopropyl)-L-glutamate is a lipid. 1, 5-Dihexadecyl N-(3-carboxy-1-oxopropyl)-L-glutamate can be used for the synthesis of phospholipid vesicle and improve the encapsulation efficiency of proteins.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCCCOC(=O)CCC(C(=O)OCCCCCCCCCCCCCCCC)NC(=O)CCC(=O)O
• IUPAC Name: 4-[[(2S)-1,5-dihexadecoxy-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid
• InChIKey: WTBOZUQAGVMYTM-QNGWXLTQSA-N
• INCHI: 1S/C41H77NO7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35-48-40(46)34-31-37(42-38(43)32-33-39(44)45)41(47)49-36-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H,42,43)(H,44,45)/t37-/m0/s1
• Isomeric SMILES: CCCCCCCCCCCCCCCCOC(=O)CC[C@@H](C(=O)OCCCCCCCCCCCCCCCC)NC(=O)CCC(=O)O
• PubChem CID: 10327351
• Molecular Weight: 696.05

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Glutamic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Glutamic acid and derivatives
• Alternative Parents: N-acyl-alpha amino acids and derivatives Alpha amino acid esters Tricarboxylic acids and derivatives Fatty acid esters N-acyl amines Secondary carboxylic acid amides Carboxylic acid esters Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Glutamic acid or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Fatty amide - N-acyl-amine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as glutamic acid and derivatives. These are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

Chemical and Physical Properties

• Solubility: Ethanol : 25 mg/mL (35.92 mM; Need ultrasonic)
• Molecular Weight: 696.100 g/mol
• XLogP3: 14.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 40
• Exact Mass: 695.57 Da
• Monoisotopic Mass: 695.57 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 49
• Formal Charge: 0
• Complexity: 788.000
• 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