Lithium acetoacetate - ≥90%(HPLC) , CAS No.3483-11-2

CAS: 3483-11-2 Cat. No.: L463192 Peso molecular: 108.02 Beilstein Registry Number: 5774841 Número EC: 628-531-9

GRADE & PURITY ≥90%(HPLC)

Synonyms

lithium3-oxobutanoate | UTLRZTUJSMCBHB-UHFFFAOYSA-M | Butanoic acid, 3-oxo-, lithium salt | AKOS040758623 | Acetoacetic acid lithium salt | 3-Oxobutanoic acid lithium salt | Lithium 3-Oxobutyrate | AKOS015903289 | lithium 3-oxobutanoate | Lithium acetoace

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Description

Lithium acetoacetate can be used as an acetoacetate standard for the measurement of acetoacetate in biological samples. It can also be used for the preparation of sodium acetoacetate.

Specifications

Sinónimos

lithium3-oxobutanoate | UTLRZTUJSMCBHB-UHFFFAOYSA-M | Butanoic acid, 3-oxo-, lithium salt | AKOS040758623 | Acetoacetic acid lithium salt | 3-Oxobutanoic acid lithium salt | Lithium 3-Oxobutyrate | AKOS015903289 | lithium 3-oxobutanoate | Lithium acetoace

Especificaciones y pureza

≥90%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥90%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: [Li+].CC(=O)CC(=O)[O-]
• IUPAC Name: lithium;3-oxobutanoate
• InChIKey: UTLRZTUJSMCBHB-UHFFFAOYSA-M
• INCHI: 1S/C4H6O3.Li/c1-3(5)2-4(6)7;/h2H2,1H3,(H,6,7);/q;+1/p-1
• Isómeros SMILES: [Li+].CC(=O)CC(=O)[O-]
• WGK Alemania: 3
• Peso molecular: 108.02
• Beilstein: 5774841
• Reaxy-Rn: 5774841
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5774841&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Keto acids and derivatives
      • Subclass Short-chain keto acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Keto acids and derivatives
• Subclass: Short-chain keto acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Short-chain keto acids and derivatives
• Alternative Parents: Beta-keto acids and derivatives 1,3-dicarbonyl compounds Ketones Carboxylic acid salts Organic lithium salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta-keto acid - Short-chain keto acid - 1,3-dicarbonyl compound - Carboxylic acid salt - Ketone - Carboxylic acid derivative - Organic lithium salt - Carboxylic acid - Monocarboxylic acid or derivatives - Organic alkali metal salt - Organic oxide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic salt - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as short-chain keto acids and derivatives. These are keto acids with an alkyl chain the contains less than 6 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

Objetivos asociados (humanos)

FFAR3 Tchem Free fatty acid receptor 3 (304 Activities)

Discover Target: FFAR3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 108.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 108.04 Da
• Monoisotopic Mass: 108.04 Da
• Topological Polar Surface Area: 57.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 99.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3