3-Hydroxyheptadecanoic acid - ≥98% , CAS No.40165-89-7

CAS: 40165-89-7 Cat. No.: H275116 分子式: C₁₇H₃₄O₃ 分子量: 286.45

グレード＆純度 ≥98%

Synonyms

SCHEMBL311718 | 3-hydroxyheptadecanoic Acid | rac-3-Hydroxyheptadecanoic Acid | AKOS030254243 | DTXSID70960607 | PD071078 | MFCD02259049 | Heptadecanoic acid, 3-hydroxy- | 3-hydroxy Heptadecanoic Acid

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

仕様

同義語

SCHEMBL311718 | 3-hydroxyheptadecanoic Acid | rac-3-Hydroxyheptadecanoic Acid | AKOS030254243 | DTXSID70960607 | PD071078 | MFCD02259049 | Heptadecanoic acid, 3-hydroxy- | 3-hydroxy Heptadecanoic Acid

仕様と純度

≥98%

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。

純度

≥98%

名前と識別子

パブケム・シド

488186767

カノニカル・スマイル

CCCCCCCCCCCCCCC(CC(=O)O)O

IUPAC Name

3-hydroxyheptadecanoic acid

InChIKey

FWZUXWSQLNHYIC-UHFFFAOYSA-N

INCHI

1S/C17H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20/h16,18H,2-15H2,1H3,(H,19,20)

異性体SMILES

CCCCCCCCCCCCCCC(CC(=O)O)O

分子量

286.45

Reaxy-Rn

1788437

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1788437&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: Methyl-branched fatty acids 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 - Beta-hydroxy acid - Branched fatty acid - Methyl-branched fatty acid - Hydroxy fatty acid - Hydroxy acid - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - 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: 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

化学的性質と物理的性質

• 溶解度: Soluble in ethanol
• 分子量: 286.400 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 15
• Exact Mass: 286.251 Da
• Monoisotopic Mass: 286.251 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 216.000
• 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