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

CAS: 617-55-0 Cat. No.: D707242 分子式: C₆H₁₀O₅ 分子量: 162.14 Beilstein Registry Number: 1724363 EC番号: 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

同義語

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

仕様と純度

≥97%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

パブケム・シド

528765235

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

3

UN番号

1993

包装グループ

III

分子量

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
    • 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 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
• 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: 1.435
• 比旋光度［α］: -7 ° (neat)
• 引火点（°C）: 55 °C
• 沸点（°C）: 108 °C/1 mmHg
• 分子量: 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