2-Hydroxytetradecanoic acid - Moligand™, ≥98% , CAS No.2507-55-3

CAS: 2507-55-3 Cat. No.: H769311 분자식: C₁₄H₂₈O₃ 분자량: 244.37 Beilstein Registry Number: 1725369 EC 번호: 219-714-0 PubChem CID: 1563

GRADE & PURITY Moligand™, ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

2-Hydroxytetradecanoic acid is a hydroxy fatty acid that inhibits cleavage between the enterovirus capsid proteins VP4 and VP2. 2-Hydroxytetradecanoic Acid has anti-virus activity.

보관 조건

Store at 2-8°C

배송

Wet ice

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등급

Moligand™

작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

정식 스마일

CCCCCCCCCCCCC(C(=O)O)O

IUPAC Name

2-hydroxytetradecanoic acid

InChIKey

JYZJYKOZGGEXSX-UHFFFAOYSA-N

INCHI

1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13,15H,2-12H2,1H3,(H,16,17)

이성체 SMILES

CCCCCCCCCCCCC(C(=O)O)O

WGK 독일

3

PubChem CID

1563

분자량

244.37

Beilstein

1725369

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 Monosaccharides Alpha 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 - Alpha-hydroxy acid - Hydroxy acid - Monosaccharide - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - 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: long-chain fatty acid - 2-hydroxy fatty acid

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: 244.370 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 244.204 Da
• Monoisotopic Mass: 244.204 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 180.000
• 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