3-Hydroxyoctadecanoic acid - ≥96% , CAS No.45261-96-9

CAS: 45261-96-9 Cat. No.: H275121 分子式: C₁₈H₃₆O₃ 分子量: 300.48

グレード＆純度 ≥96%

Synonyms

POMQYTSPMKEQNB-UHFFFAOYSA-N | MFCD00673437 | DL-3-hydroxy stearic acid | DTXSID501346294 | BS-16067 | rac-3-Hydroxyoctadecanoic Acid | SCHEMBL310070 | 3-hydroxystearic acid | BP-29863 | Octadecanoic acid, 3-hydroxy- | 3-Hydroxyoctadecanoicacid | AKOS02810

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

概要

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

仕様

同義語

POMQYTSPMKEQNB-UHFFFAOYSA-N | MFCD00673437 | DL-3-hydroxy stearic acid | DTXSID501346294 | BS-16067 | rac-3-Hydroxyoctadecanoic Acid | SCHEMBL310070 | 3-hydroxystearic acid | BP-29863 | Octadecanoic acid, 3-hydroxy- | 3-Hydroxyoctadecanoicacid | AKOS02810

仕様と純度

≥96%

生化学的・生理学的メカニズム

3-Hydroxy fatty acid. Component of Campylobacter cellular fatty acids. Use as standard, in analysis and biological systems.

保管条件

Store at -20°C,Desiccated

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

注

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

純度

≥96%

名前と識別子

パブケム・シド

504763452

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504763452

カノニカル・スマイル

CCCCCCCCCCCCCCCC(CC(=O)O)O

IUPAC Name

3-hydroxyoctadecanoic acid

InChIKey

POMQYTSPMKEQNB-UHFFFAOYSA-N

INCHI

1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)

異性体SMILES

CCCCCCCCCCCCCCCC(CC(=O)O)O

分子量

300.48

Reaxy-Rn

1791497

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1791497&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Hydroxy fatty acids Beta 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 - Beta-hydroxy acid - Hydroxy 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
• 説明: 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: Other Octadecanoids

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

化学的性質と物理的性質

• 溶解度: Soluble in ethanol to 5 mM and in DMSO to 100 mM
• 分子量: 300.500 g/mol
• XLogP3: 6.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 16
• Exact Mass: 300.266 Da
• Monoisotopic Mass: 300.266 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 229.000
• 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