D-(+)-Apple Acid Diethyl Ester - ≥98%(GC) , CAS No.7554-28-1

CAS: 7554-28-1 Cat. No.: D134433 Summenformel: C₈H₁₄O₅ Molekulargewicht: 190.2 EG-Nummer: 879-128-1

GRADE & PURITY ≥98%(GC)

Synonyms

M1351 | Butanedioic acid, hydroxy-, diethyl ester, (2R)- | 1,4-DIETHYL (2R)-2-HYDROXYBUTANEDIOATE | DTXSID90226474 | D-Malic Acid Diethyl Ester | (R)-Diethyl 2-hydroxysuccinate | Diethyl D-(+)-Malate | AKOS022185975 | D81853 | DS-6572 | MFCD02093483 | But

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

M1351 | Butanedioic acid, hydroxy-, diethyl ester, (2R)- | 1,4-DIETHYL (2R)-2-HYDROXYBUTANEDIOATE | DTXSID90226474 | D-Malic Acid Diethyl Ester | (R)-Diethyl 2-hydroxysuccinate | Diethyl D-(+)-Malate | AKOS022185975 | D81853 | DS-6572 | MFCD02093483 | But

Spezifikationen & Reinheit

≥98%(GC)

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 504760622
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760622
• Kanonisches Lächeln: CCOC(=O)CC(C(=O)OCC)O
• IUPAC Name: diethyl (2R)-2-hydroxybutanedioate
• InChIKey: VKNUORWMCINMRB-ZCFIWIBFSA-N
• INCHI: 1S/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3/t6-/m1/s1
• Isomere SMILES: CCOC(=O)C[C@H](C(=O)OCC)O
• Molekulargewicht: 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
    • Klasse Hydroxy acids and derivatives
      • Subclass Beta hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.43
• Flammpunkt (°C): 85 °C
• Molekulargewicht: 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