(-)-Diacetyl-L-tartaric Acid - ≥98% , CAS No.51591-38-9

CAS: 51591-38-9 Cat. No.: D155463 Peso molecular: 234.16 Número EC: 257-303-8

GRADE & PURITY ≥98%

Synonyms

HSJ8N03NO1 | UNII-HSJ8N03NO1 | W-111020 | AKOS027327428 | (-)-Diacetyl-L-tartaric Acid | (R(R*,R*))-2,3-Bis(acetoxy)succinic acid | DAWE | TARTARIC ACID DIACETATE | D89847 | A871228 | (2R,3R)-2,3-bis(acetyloxy)butanedioic acid | SCHEMBL255602 | D1386 | (R

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

HSJ8N03NO1 | UNII-HSJ8N03NO1 | W-111020 | AKOS027327428 | (-)-Diacetyl-L-tartaric Acid | (R(R*, R*))-2, 3-Bis(acetoxy)succinic acid | DAWE | TARTARIC ACID DIACETATE | D89847 | A871228 | (2R, 3R)-2, 3-bis(acetyloxy)butanedioic acid | SCHEMBL255602 | D1386 | (R

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(=O)OC(C(C(=O)O)OC(=O)C)C(=O)O
• IUPAC Name: (2R,3R)-2,3-diacetyloxybutanedioic acid
• InChIKey: DNISEZBAYYIQFB-PHDIDXHHSA-N
• INCHI: 1S/C8H10O8/c1-3(9)15-5(7(11)12)6(8(13)14)16-4(2)10/h5-6H,1-2H3,(H,11,12)(H,13,14)/t5-,6-/m1/s1
• Isómeros SMILES: CC(=O)O[C@H]([C@H](C(=O)O)OC(=O)C)C(=O)O
• Peso molecular: 234.16
• Reaxy-Rn: 1801760
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1801760&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Tetracarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Tetracarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracarboxylic acids and derivatives
• Alternative Parents: Monosaccharides Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Monosaccharide - Carboxylic acid ester - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
• 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Rotación específica [α]: -25° (C=10,Acetone)
• Punto de fusión (°C): 120 °C
• Peso molecular: 234.160 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 234.038 Da
• Monoisotopic Mass: 234.038 Da
• Topological Polar Surface Area: 127.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 288.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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