18-Hydroxyoctadecanoic acid - ≥98% , CAS No.3155-42-8

CAS: 3155-42-8 Cat. No.: H303419 분자식: C₁₈H₃₆O₃ 분자량: 300.48

등급 & 순도 ≥98%

Synonyms

AKOS027430389 | 18-hydroxyoctadecanoicacid | 18-hydroxystearic acid | Monohydroxystearic acid, 18- | Q27148249 | CCR5P6ICT2 | CHEBI:79182 | A901375 | SCHEMBL16113 | 18-hydroxyoctadecanoic acid | 18-hydroxy-octadecanoic acid | 18-hydroxy stearic acid | ome

Storage

Room temperature

Shipped In

Normal

사양

동의어

AKOS027430389 | 18-hydroxyoctadecanoicacid | 18-hydroxystearic acid | Monohydroxystearic acid, 18- | Q27148249 | CCR5P6ICT2 | CHEBI:79182 | A901375 | SCHEMBL16113 | 18-hydroxyoctadecanoic acid | 18-hydroxy-octadecanoic acid | 18-hydroxy stearic acid | ome

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488195272

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195272

정식 스마일

C(CCCCCCCCC(=O)O)CCCCCCCCO

IUPAC Name

18-hydroxyoctadecanoic acid

InChIKey

VLHZUYUOEGBBJB-UHFFFAOYSA-N

INCHI

1S/C18H36O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h19H,1-17H2,(H,20,21)

이성체 SMILES

C(CCCCCCCCC(=O)O)CCCCCCCCO

분자량

300.48

Reaxy-Rn

1789809

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1789809&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Hydroxy fatty acids Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Hydroxy fatty acid - Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• 설명: 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

화학 및 물리적 특성

• 분자량: 300.500 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 17
• 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: 217.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3155-42-8, the molecular formula is C18H36O3, and the molecular weight is 300.48 g/mol. InChIKey VLHZUYUOEGBBJB-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.