cis-13-Eicosenoic acid - 10 mM in DMSO , CAS No.17735-94-3

CAS: 17735-94-3 Cat. No.: C759982 Summenformel: C₂₀H₃₈O₂ Molekulargewicht: 310.51

GRADE & PURITY 10 mM in DMSO

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 | Paullinic acid

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

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

Specifications

Synonyme

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 | Paullinic acid

Spezifikationen & Reinheit

10 mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

• Kanonisches Lächeln: 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-
• Isomere SMILES: CCCCCC/C=C\CCCCCCCCCCCC(=O)O
• Molekulargewicht: 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
    • Klasse Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): ~426.3° C at 760 mmHg (Predicted)
• Schmelzpunkt (°C): 149.21° C (Predicted)
• Molekulargewicht: 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

Häufig gestellte Fragen

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

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

The CAS Number is 17735-94-3, the molecular formula is C20H38O2, and the molecular weight is 310.51 g/mol. InChIKey URXZXNYJPAJJOQ-FPLPWBNLSA-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.