2-Hydroxy-4-methylvaleric Acid - ≥98% , CAS No.10303-64-7

CAS: 10303-64-7 Cat. No.: H302104 Formula: C₆H₁₂O₃ Peso molecolare: 132.16 Numero EC: 233-677-8

GRADE & PURITY ≥98%

Synonyms

A827869 | LEUCIC ACID, (+/-)- | (+/-)-2-HYDROXYISOCAPROIC ACID | 4-cyclopropylpiperazine | DTXSID80862047 | bmse000338 | STK895083 | alpha-Hydroxyisocaproate | alpha-Hydroxy-iso-caproate | CHEBI:59783 | DL-leucic acid | DL-Leucate | MFCD00187875 | SY06674

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinonimi

A827869 | LEUCIC ACID, (+/-)- | (+/-)-2-HYDROXYISOCAPROIC ACID | 4-cyclopropylpiperazine | DTXSID80862047 | bmse000338 | STK895083 | alpha-Hydroxyisocaproate | alpha-Hydroxy-iso-caproate | CHEBI:59783 | DL-leucic acid | DL-Leucate | MFCD00187875 | SY06674

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Desiccated

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: CC(C)CC(C(=O)O)O
• IUPAC Name: 2-hydroxy-4-methylpentanoic acid
• InChIKey: LVRFTAZAXQPQHI-UHFFFAOYSA-N
• INCHI: 1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)
• Isomeri SMILES: CC(C)CC(C(=O)O)O
• Peso molecolare: 132.16
• Reaxy-Rn: 1721733
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1721733&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxy fatty acids
• Alternative Parents: Methyl-branched fatty acids 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: Branched fatty acid - Hydroxy fatty acid - Methyl-branched fatty acid - Alpha-hydroxy acid - Hydroxy acid - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group.
• External Descriptors: Hydroxy fatty acids

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 78-80 °C
• Peso molecolare: 132.160 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 132.079 Da
• Monoisotopic Mass: 132.079 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 98.500
• 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