cis-13-Eicosenoic acid - ≥95% , CAS No.17735-94-3

CAS: 17735-94-3 Cat. No.: C351435 Formule: C₂₀H₃₈O₂ Poids moléculaire: 310.51

GRADE & PURITY ≥95%

Synonyms

paullinic acid | MS-24525 | (13Z)-eicos-13-enoic acid | Q2707986 | cis-13-eicosenoic acid | C20:1n-7 | 13-Eicosenoic acid, (13Z)- | SCHEMBL314774 | CHEBI:134479 | UNII-CCL3CM45AT | (Z)-13-Eicosenoic acid | C21946 | DTXSID80402624

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

cis-13-Eicosenoic acid is an ω-7 fatty acid

Specifications

Synonymes

paullinic acid | MS-24525 | (13Z)-eicos-13-enoic acid | Q2707986 | cis-13-eicosenoic acid | C20:1n-7 | 13-Eicosenoic acid, (13Z)- | SCHEMBL314774 | CHEBI:134479 | UNII-CCL3CM45AT | (Z)-13-Eicosenoic acid | C21946 | DTXSID80402624

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

Pubchem Sid

528752784

Sourires canoniques

CCCCCC/C=C\CCCCCCCCCCCC(O)=O

IUPAC Name

(Z)-icos-13-enoic acid

InChIKey

URXZXNYJPAJJOQ-FPLPWBNLSA-N

INCHI

1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8H,2-6,9-19H2,1H3,(H,21,22)/b8-7-

Isomères SMILES

CCCCCC/C=C\CCCCCCCCCCCC(=O)O

Poids moléculaire

310.51

Reaxy-Rn

1876064

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1876064&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Unsaturated fatty acids Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Unsaturated fatty acid - Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
• External Descriptors: Unsaturated 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

Propriétés chimiques et physiques

• Point d'ébullition (°C): ~426.3° C at 760 mmHg (Predicted)
• Point de fusion (°C): 149.21° C (Predicted)
• Poids moléculaire: 310.500 g/mol
• XLogP3: 7.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 17
• Exact Mass: 310.287 Da
• Monoisotopic Mass: 310.287 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 258.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1