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ricinelaidic acid - Reagent Grade, high purity , CAS No.7431-95-0
Basic Description
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
Specifications & Purity
Reagent grade
Grade
Reagent Grade
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
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
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
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.
Names and Identifiers
IUPAC Name
12-hydroxyoctadec-9-enoic acid
INCHI
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)
InChIKey
WBHHMMIMDMUBKC-UHFFFAOYSA-N
Smiles
CCCCCCC(CC=CCCCCCCCC(=O)O)O
Isomeric SMILES
CCCCCCC(CC=CCCCCCCCC(=O)O)O
PubChem CID
8839
Molecular Weight
298.46
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
Not applicable
Flash Point(°C)
Not applicable
Molecular Weight
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
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