2-Hydroxybutyric acid sodium salt - 10mM in DMSO , CAS No.5094-24-6

CAS: 5094-24-6 Cat. No.: H424383 Peso molecular: 126.09 Beilstein Registry Number: 3(3)562 Número EC: 225-812-4

GRADE & PURITY 10mM in DMSO

Synonyms

DL-2-Hydroxybutyric Acid Sodium Salt | HY-W012790 | UNII-TF4710DNP9 | SCHEMBL310875 | FT-0635538 | AKOS015903019 | DTXSID70940621 | BUTANOIC ACID, 2-HYDROXY-, MONOSODIUM SALT, (+/-)- | MOSCXNXKSOHVSQ-UHFFFAOYSA-M | BUTANOIC ACID, 2-HYDROXY-, SODIUM SALT (

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Usually used in gas chromatographic (GC) method for the indirect enantioresolution of 2- and 3-hydroxy fatty acids.

Specifications

Sinónimos

DL-2-Hydroxybutyric Acid Sodium Salt | HY-W012790 | UNII-TF4710DNP9 | SCHEMBL310875 | FT-0635538 | AKOS015903019 | DTXSID70940621 | BUTANOIC ACID, 2-HYDROXY-, MONOSODIUM SALT, (+/-)- | MOSCXNXKSOHVSQ-UHFFFAOYSA-M | BUTANOIC ACID, 2-HYDROXY-, SODIUM SALT (

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: CCC(C(=O)[O-])O.[Na+]
• IUPAC Name: sodium;2-hydroxybutanoate
• InChIKey: MOSCXNXKSOHVSQ-UHFFFAOYSA-M
• INCHI: 1S/C4H8O3.Na/c1-2-3(5)4(6)7;/h3,5H,2H2,1H3,(H,6,7);/q;+1/p-1
• Isómeros SMILES: CCC(C(=O)[O-])O.[Na+]
• WGK Alemania: 3
• Peso molecular: 126.09
• Beilstein: 3(3)562
• Reaxy-Rn: 4825104
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4825104&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: Fatty acids and conjugates
• Alternative Parents: Secondary alcohols Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid - Carboxylic acid salt - Secondary alcohol - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic sodium salt - Organic oxygen compound - Organic salt - Organic zwitterion - Organooxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fatty acids and conjugates. These are aliphatic monocarboxylic acids with a saturated or unsaturated aliphatic tail (with at least 4 Carbon atoms).
• 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: Moisture sensitive
• Punto de fusión (°C): 133-135°C
• Peso molecular: 126.090 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 126.029 Da
• Monoisotopic Mass: 126.029 Da
• Topological Polar Surface Area: 60.400 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 73.700
• 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: 2

XLogP3