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

CAS: 51591-38-9 Cat. No.: D155463 Molecular Weight: 234.16 EC Number: 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

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

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CC(=O)O[C@H]([C@H](C(=O)O)OC(=O)C)C(=O)O
• Molecular Weight: 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
    • Class Carboxylic acids and derivatives
      • Subclass Tetracarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Specific Rotation[α]: -25° (C=10,Acetone)
• Melt Point(°C): 120 °C
• Molecular Weight: 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