L-(-)-リンゴ酸ジエチル - ≥97%以上(GC) , CAS No.691-84-9

CAS: 691-84-9 Cat. No.: D136832 分子式: C₈H₁₄O₅ 分子量: 190.2

GRADE & PURITY ≥97%(GC)

Synonyms

AKOS006238365｜Butanedioic acid, 2-hydroxy-, 1,4-diethyl esters, (2S)-｜Diethyl L-(-)-Malate｜A9163｜EN300-7365668｜Diethyl (S)-(-)-2-hydroxysuccinate｜(S)-Diethyl2-hydroxysuccinate｜Butanedioic acid, hydroxy-, diethyl esters, (2S)-｜(S)-malic acid

Storage

Room temperature

Shipped In

ノーマル

Specifications

同義語

AKOS006238365｜Butanedioic acid, 2-hydroxy-, 1,4-diethyl esters, (2S)-｜Diethyl L-(-)-Malate｜A9163｜EN300-7365668｜Diethyl (S)-(-)-2-hydroxysuccinate｜(S)-Diethyl2-hydroxysuccinate｜Butanedioic acid, hydroxy-, diethyl esters, (2S)-｜(S)-malic acid

仕様と純度

≥97%以上(GC)

保管条件

Room temperature

入荷

ノーマル

純度

≥97%(GC)

名前と識別子

• パブケム・シド: 488191990
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488191990
• カノニカル・スマイル: CCOC(=O)CC(C(=O)OCC)O
• IUPAC Name: diethyl (2S)-2-hydroxybutanedioate
• InChIKey: VKNUORWMCINMRB-LURJTMIESA-N
• INCHI: 1S/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3/t6-/m0/s1
• 異性体SMILES: CCOC(=O)C[C@@H](C(=O)OCC)O
• 分子量: 190.2
• Reaxy-Rn: 1725473
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1725473&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: 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 esters Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Beta-hydroxy acid - Fatty acyl - Dicarboxylic acid or derivatives - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• 説明: 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

化学的性質と物理的性質

• 屈折率: 1.44
• 引火点（°C）: 85 °C
• 分子量: 190.190 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 190.084 Da
• Monoisotopic Mass: 190.084 Da
• Topological Polar Surface Area: 72.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 177.000
• 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

参考文献

1. Datong Wu, Wensheng Tan, Yin Yu, Baozhu Yang, Hongda Li, Yong Kong.  (2018)  A facile avenue to prepare chiral graphene sheets as electrode modification for electrochemical enantiorecognition.  ANALYTICA CHIMICA ACTA,      [PMID:30172332] [10.1016/j.aca.2018.06.029]

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 691-84-9, the molecular formula is C8H14O5, and the molecular weight is 190.2 g/mol. InChIKey VKNUORWMCINMRB-LURJTMIESA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.