2-Hydroxyeicosanoic acid - ≥98% , CAS No.16742-48-6

CAS: 16742-48-6 Cat. No.: H275961 Molecular Weight: 328.53

GRADE & PURITY ≥98%

Synonyms

2-hydroxyarachidic acid | Eicosanoic acid, 2-hydroxy- | hydroxyeicosanoic acid | 2-Hydroxy arachidic acid | LMFA01050073 | 20:0(2R-OH) | DTXSID90937331 | 2-HYDROXYEICOSANOICACID | 2(R)-hydroxyicosanoic acid | 2-Hydroxyeicosanoic acid | 2-hydroxy-eicosanoi

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

2-hydroxy Arachidic acid is a hydroxylated fatty acid that has been found in pasture grass

Specifications

Synonyms

2-hydroxyarachidic acid | Eicosanoic acid, 2-hydroxy- | hydroxyeicosanoic acid | 2-Hydroxy arachidic acid | LMFA01050073 | 20:0(2R-OH) | DTXSID90937331 | 2-HYDROXYEICOSANOICACID | 2(R)-hydroxyicosanoic acid | 2-Hydroxyeicosanoic acid | 2-hydroxy-eicosanoi

Specifications & Purity

≥98%

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488195169
• Canonical Smiles: CCCCCCCCCCCCCCCCCCC(C(=O)O)O
• IUPAC Name: 2-hydroxyicosanoic acid
• InChIKey: CPLYLXYEVLGWFJ-UHFFFAOYSA-N
• INCHI: 1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23/h19,21H,2-18H2,1H3,(H,22,23)
• Isomeric SMILES: CCCCCCCCCCCCCCCCCCC(C(=O)O)O
• Molecular Weight: 328.53
• Reaxy-Rn: 1795515
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1795515&ln=

Taxonomic Classification

Taxonomy Tree

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

• 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 Monosaccharides Alpha hydroxy acids and derivatives 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 - Alpha-hydroxy acid - Hydroxy acid - Monosaccharide - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - 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: 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

Chemical and Physical Properties

• Molecular Weight: 328.500 g/mol
• XLogP3: 8.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 18
• Exact Mass: 328.298 Da
• Monoisotopic Mass: 328.298 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 253.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1