Dimethyl L-(-)-Malate - ≥97% , CAS No.617-55-0

CAS: 617-55-0 Cat. No.: D707242 Fórmula: C₆H₁₀O₅ Peso molecular: 162.14 Beilstein Registry Number: 1724363 Número CE: 432-310-0

GRADE & PURITY ≥97%

Synonyms

L-(-)-Apple Acid Dimethyl Ester | L-(-)-Malic Acid Dimethyl Ester | Dimethyl (S)-2-hydroxysuccinate | Dimethyl L-malate | Dimethyl (S)-()-malate

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

L-(-)-Apple Acid Dimethyl Ester | L-(-)-Malic Acid Dimethyl Ester | Dimethyl (S)-2-hydroxysuccinate | Dimethyl L-malate | Dimethyl (S)-()-malate

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

528765235

Sorrisos canónicos

COC(=O)CC(C(=O)OC)O

IUPAC Name

dimethyl (2S)-2-hydroxybutanedioate

InChIKey

YSEKNCXYRGKTBJ-BYPYZUCNSA-N

INCHI

1S/C6H10O5/c1-10-5(8)3-4(7)6(9)11-2/h4,7H,3H2,1-2H3/t4-/m0/s1

SMILES isoméricas

COC(=O)C[C@@H](C(=O)OC)O

WGK Alemanha

3

Número UN

1993

Grupo de embalagem

III

Peso molecular

162.14

Beilstein

1724363

Reaxy-Rn

1724362

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1724362&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Hydroxy acids and derivatives
      • Subclass Beta hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Hydroxy acids and derivatives
• Subclass: Beta hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta hydroxy acids and derivatives
• Alternative Parents: Fatty acid methyl esters Dicarboxylic acids and derivatives Methyl esters Secondary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta-hydroxy acid - Fatty acid methyl ester - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Methyl ester - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Organooxygen compound - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.
• 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

Propriedades químicas e físicas

• Índice de refração: 1.435
• Rotação específica [α]: -7 ° (neat)
• Ponto de inflamação (°C): 55 °C
• Ponto de ebulição (°C): 108 °C/1 mmHg
• Peso molecular: 162.140 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 162.053 Da
• Monoisotopic Mass: 162.053 Da
• Topological Polar Surface Area: 72.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 153.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 1