(R)-3-Hydroxydecanoic Acid Methyl Ester - ≥95% , CAS No.56618-58-7

CAS: 56618-58-7 Cat. No.: R337241 Molecular Weight: 202.3

GRADE & PURITY ≥95%

Synonyms

DTXSID50446818 | (R)-3-Hydroxydecanoic Acid Methyl Ester | (R)-Methyl3-hydroxydecanoate | (R)-Methyl 3-hydroxydecanoate | Methyl (R)-3-Hydroxydecanoate | SS-4998 | BP-29858 | R-(3)-Hydroxydecanoic Acid, Methyl Ester | 3-(r)-hydroxydecanoic acid methyl est

Storage

Store at 2-8°C

Shipped In

Wet ice

Application

228,229

Overview

R-(3)-Hydroxydecanoic Acid, Methyl Ester is the methyl ester of one out of two major components of bacterial Lipid A.

Specifications

Synonyms

DTXSID50446818 | (R)-3-Hydroxydecanoic Acid Methyl Ester | (R)-Methyl3-hydroxydecanoate | (R)-Methyl 3-hydroxydecanoate | Methyl (R)-3-Hydroxydecanoate | SS-4998 | BP-29858 | R-(3)-Hydroxydecanoic Acid, Methyl Ester | 3-(r)-hydroxydecanoic acid methyl est

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504765673
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765673
• Canonical Smiles: CCCCCCCC(CC(=O)OC)O
• IUPAC Name: methyl (3R)-3-hydroxydecanoate
• InChIKey: UBVACUZVNTVHTE-SNVBAGLBSA-N
• INCHI: 1S/C11H22O3/c1-3-4-5-6-7-8-10(12)9-11(13)14-2/h10,12H,3-9H2,1-2H3/t10-/m1/s1
• Isomeric SMILES: CCCCCCC[C@H](CC(=O)OC)O
• Molecular Weight: 202.3
• Reaxy-Rn: 1770390
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1770390&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Fatty acid methyl esters Beta hydroxy acids and derivatives Methyl esters Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Beta-hydroxy acid - Fatty acid ester - Fatty acid methyl ester - Hydroxy acid - Methyl ester - Carboxylic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six 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

Chemical and Physical Properties

• Solubility: Soluble in Dichloromethane, Ethyl Acetate, Hexane and Methanol
• Molecular Weight: 202.290 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 202.157 Da
• Monoisotopic Mass: 202.157 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 145.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1