(+)-Dibenzoyl-D-tartaric Acid - ≥98%(HPLC) , CAS No.17026-42-5

CAS: 17026-42-5 Cat. No.: D154781 Molecular Weight: 358.3 Beilstein Registry Number: 2227340 EC Number: 241-097-1

GRADE & PURITY ≥98%(HPLC)

Synonyms

D-(+)-Di-O,O-benzoyltartaric acid | D3826 | (2S,3S)-2,3-dibenzoyloxybutanedioic acid | Dibenzoyltartaric acid, (+)-D- | (+)-Dibenzoyl-D-tartaric acid, anhydrous | Dibenzoyl-D-tartaric acid | (2S,3S)-2,3-bis(benzoyloxy)succinic acid | (+)-2,3-Dibenzoyl-D-t

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

(+)-2,3-Dibenzoyl-D-tartaric acid is an acidic chiral resolving reagent[4] for the resolution of bases

Reagent for chiral resolution of amino compounds.

Specifications

Synonyms

D-(+)-Di-O, O-benzoyltartaric acid | D3826 | (2S, 3S)-2, 3-dibenzoyloxybutanedioic acid | Dibenzoyltartaric acid, (+)-D- | (+)-Dibenzoyl-D-tartaric acid, anhydrous | Dibenzoyl-D-tartaric acid | (2S, 3S)-2, 3-bis(benzoyloxy)succinic acid | (+)-2, 3-Dibenzoyl-D-t

Specifications & Purity

≥98%(HPLC)

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504760595
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760595
• Canonical Smiles: C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O
• IUPAC Name: (2S,3S)-2,3-dibenzoyloxybutanedioic acid
• InChIKey: YONLFQNRGZXBBF-KBPBESRZSA-N
• INCHI: 1S/C18H14O8/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h1-10,13-14H,(H,19,20)(H,21,22)/t13-,14-/m0/s1
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O
• WGK Germany: 3
• Molecular Weight: 358.3
• Beilstein: 2227340
• Reaxy-Rn: 2227342
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2227342&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: Benzoic acid esters Benzoyl derivatives Monosaccharides Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Benzenoid - Monosaccharide - Monocyclic benzene moiety - Carboxylic acid ester - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic 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

Associated Targets(non-human)

Influenza A virus (11224 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in ethanol. Insoluble in water.
• Sensitivity: Hygroscopic
• Specific Rotation[α]: 117° (C=1,EtOH)
• Melt Point(°C): 152.0 to 156.0 °C
• Molecular Weight: 358.300 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 358.069 Da
• Monoisotopic Mass: 358.069 Da
• Topological Polar Surface Area: 127.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 483.000
• 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