22-Hydroxydocosanoic acid (Omega-Hydroxybehenic acid) - ≥98% , CAS No.506-45-6

CAS: 506-45-6 Cat. No.: H276265 Peso molecular: 356.58

GRADE & PURITY ≥98%

Synonyms

Phellonsaure | omega-hydroxydocosanoic acid | LMFA01050079 | 22-hydroxydocosanoic acid | 22-hydroxy-docosanoic acid | 22-Hydroxydocosanoic acid (Omega-Hydroxybehenic acid) | IBPVZXPSTLXWCG-UHFFFAOYSA-N | omega-hydroxy behenic acid | Phellonic acid | SCHEM

Storage

Room temperature

Shipped In

Normal

Descripción general

Store at Room Temperature. The product can be stored for up to 12 months.

Specifications

Sinónimos

Phellonsaure | omega-hydroxydocosanoic acid | LMFA01050079 | 22-hydroxydocosanoic acid | 22-hydroxy-docosanoic acid | 22-Hydroxydocosanoic acid (Omega-Hydroxybehenic acid) | IBPVZXPSTLXWCG-UHFFFAOYSA-N | omega-hydroxy behenic acid | Phellonic acid | SCHEM

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C(CCCCCCCCCCC(=O)O)CCCCCCCCCCO
• IUPAC Name: 22-hydroxydocosanoic acid
• InChIKey: IBPVZXPSTLXWCG-UHFFFAOYSA-N
• INCHI: 1S/C22H44O3/c23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(24)25/h23H,1-21H2,(H,24,25)
• Isómeros SMILES: C(CCCCCCCCCCC(=O)O)CCCCCCCCCCO
• Peso molecular: 356.58
• Reaxy-Rn: 1796845
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1796845&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Very long-chain fatty acids
• Alternative Parents: Hydroxy fatty acids Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Very long-chain fatty acid - Hydroxy fatty acid - Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms.
• External Descriptors: Hydroxy fatty acids

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

• Solubilidad: Soluble in ethanol (with warming)
• Peso molecular: 356.600 g/mol
• XLogP3: 7.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 21
• Exact Mass: 356.329 Da
• Monoisotopic Mass: 356.329 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 266.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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