2-Hydroxy-4-(methylthio)butyric Acid - ≥85%(NT) , CAS No.583-91-5

CAS: 583-91-5 Cat. No.: H194065 Peso molecular: 150.19 Número EC: 209-523-0

GRADE & PURITY ≥85%(NT)

Synonyms

Z788000926 | (RS)-3-Hydroxy-4-(methylthio)buttersaeure | ONFOSYPQQXJWGS-UHFFFAOYSA-N | DESMENINOL [HSDB] | alpha-Hydroxy-gamma-(methylthio)butyric acid | Q27295171 | (+/-)-2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID | W-105391 | EN300-103144 | gamma-(Methylthio)

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Z788000926 | (RS)-3-Hydroxy-4-(methylthio)buttersaeure | ONFOSYPQQXJWGS-UHFFFAOYSA-N | DESMENINOL [HSDB] | alpha-Hydroxy-gamma-(methylthio)butyric acid | Q27295171 | (+/-)-2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID | W-105391 | EN300-103144 | gamma-(Methylthio)

Especificaciones y pureza

≥85%(NT)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Tipo de acción

ACTIVATOR

Pureza

≥85%(NT)

Nombres e identificadores

• Pubchem Sid: 488181337
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181337
• Sonrisas canónicas: CSCCC(C(=O)O)O
• IUPAC Name: 2-hydroxy-4-methylsulfanylbutanoic acid
• InChIKey: ONFOSYPQQXJWGS-UHFFFAOYSA-N
• INCHI: 1S/C5H10O3S/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
• Isómeros SMILES: CSCCC(C(=O)O)O
• Peso molecular: 150.19
• Reaxy-Rn: 1757947
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1757947&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Thia fatty acids
• Alternative Parents: Hydroxy fatty acids Monosaccharides Alpha hydroxy acids and derivatives Secondary alcohols Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydroxy fatty acid - Thia fatty acid - Alpha-hydroxy acid - Hydroxy acid - Monosaccharide - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Dialkylthioether - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thia fatty acids. These are fatty acid derivatives obtained by insertion of a sulfur atom at specific positions in the chain.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Peso molecular: 150.200 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 150.035 Da
• Monoisotopic Mass: 150.035 Da
• Topological Polar Surface Area: 82.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 94.200
• 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