ricinelaidic acid - Reagent grade , CAS No.7431-95-0

CAS: 7431-95-0 Cat. No.: R479433 Summenformel: C₁₈H₃₄O₃ Molekulargewicht: 298.46 PubChem CID: 8839

GRADE & PURITY Reagent Grade

Synonyms

12-hydroxyl-9-octadecenoic acid | FT-0774278 | RICINELAIDIC ACID FREE ACID | DTXSID20859274 | 9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)- | FT-0607233 | MEGxp0_002003 | 12-hydroxyoctadec-9-enoic acid | ACon1_000440 | SB44559

Storage

Room temperature

Specifications

Synonyme

12-hydroxyl-9-octadecenoic acid | FT-0774278 | RICINELAIDIC ACID FREE ACID | DTXSID20859274 | 9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)- | FT-0607233 | MEGxp0_002003 | 12-hydroxyoctadec-9-enoic acid | ACon1_000440 | SB44559

Spezifikationen & Reinheit

Reagent grade

Storage

Room temperature

Note

Reagent Grade

Namen und Kennungen

Kanonisches Lächeln

CCCCCCC(CC=CCCCCCCCC(=O)O)O

IUPAC Name

12-hydroxyoctadec-9-enoic acid

InChIKey

WBHHMMIMDMUBKC-UHFFFAOYSA-N

INCHI

1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)

Isomere SMILES

CCCCCCC(CC=CCCCCCCCC(=O)O)O

PubChem CID

8839

Molekulargewicht

298.46

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: Hydroxy fatty acids Unsaturated fatty acids Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Hydroxy fatty acid - Unsaturated fatty acid - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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: 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

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable
• Molekulargewicht: 298.500 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 15
• Exact Mass: 298.251 Da
• Monoisotopic Mass: 298.251 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 261.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1