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

CAS: 45261-96-9 Cat. No.: H275121 분자식: C₁₈H₃₆O₃ 분자량: 300.48

등급 & 순도 ≥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

개요

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

사양

동의어

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

사양 및 순도

≥96%

생화학 및 생리적 메커니즘

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

보관 조건

Store at -20°C,Desiccated

배송

Ice chest + Ice pads

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참고

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.

순수함

≥96%

이름과 식별자

Pubchem Sid

504763452

Pubchem Sid Url

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

정식 스마일

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)

이성체 SMILES

CCCCCCCCCCCCCCCC(CC(=O)O)O

분자량

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
    • 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 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
• 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

• 용해성: Soluble in ethanol to 5 mM and in DMSO to 100 mM
• 분자량: 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