Pam₃-Cys-OH - ≥98%(TLC) , CAS No.87420-41-5

CAS: 87420-41-5 Cat. No.: P465262 Formule: C₅₄H₁₀₃NO₇S Poids moléculaire: 910.46 PubChem CID: 135926

Synonyms

N-Palmitoyl-2,3-bis(palmitoyloxy)-2-propylcysteine | HEXADECANOIC ACID, 1-((((2R)-2-CARBOXY-2-((1-OXOHEXADECYL)AMINO)ETHYL)THIO)METHYL)-1,2-ETHANEDIYL ESTER | Pam3-Cys-OH, >=98.0% (TLC) | AKOS030242690 | Palmitoyl-Cys((RS)-2,3-di(palmitoyloxy)-propyl)-OH

Storage

Room temperature

Specifications

Synonymes

N-Palmitoyl-2,3-bis(palmitoyloxy)-2-propylcysteine | HEXADECANOIC ACID, 1-((((2R)-2-CARBOXY-2-((1-OXOHEXADECYL)AMINO)ETHYL)THIO)METHYL)-1,2-ETHANEDIYL ESTER | Pam3-Cys-OH, >=98.0% (TLC) | AKOS030242690 | Palmitoyl-Cys((RS)-2,3-di(palmitoyloxy)-propyl)-OH

Spécifications et pureté

≥98%(TLC)

Conditions de stockage de stockage

Room temperature

Noms et identifiants

Sourires canoniques

CCCCCCCCCCCCCCCC(=O)NC(CSCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)O

IUPAC Name

(2R)-3-[2,3-di(hexadecanoyloxy)propylsulfanyl]-2-(hexadecanoylamino)propanoic acid

InChIKey

PZFZLRNAOHUQPH-GOOVXGPGSA-N

INCHI

1S/C54H103NO7S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-51(56)55-50(54(59)60)48-63-47-49(62-53(58)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)46-61-52(57)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h49-50H,4-48H2,1-3H3,(H,55,56)(H,59,60)/t49?,50-/m0/s1

Isomères SMILES

CCCCCCCCCCCCCCCC(=O)N[C@@H](CSCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)O

WGK Allemagne

3

PubChem CID

135926

Poids moléculaire

910.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-acyl-alpha amino acids and derivatives
              • Level8 N-acyl-alpha amino acids
                • Level9 N-acyl-L-alpha-amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives - N-acyl-alpha amino acids
• Direct Parent: N-acyl-L-alpha-amino acids
• Alternative Parents: Cysteine and derivatives Tricarboxylic acids and derivatives Fatty acid esters N-acyl amines Secondary carboxylic acid amides Carboxylic acid esters Sulfenyl compounds Dialkylthioethers Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: N-acyl-l-alpha-amino acid - Cysteine or derivatives - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - N-acyl-amine - Fatty amide - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Dialkylthioether - Sulfenyl compound - Thioether - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 910.500 g/mol
• XLogP3: 21.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 53
• Exact Mass: 909.746 Da
• Monoisotopic Mass: 909.746 Da
• Topological Polar Surface Area: 144.000 Ų
• Heavy Atom Count: 63
• Formal Charge: 0
• Complexity: 1030.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by TLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 87420-41-5, the molecular formula is C54H103NO7S, and the molecular weight is 910.46 g/mol. InChIKey PZFZLRNAOHUQPH-GOOVXGPGSA-N.

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.