Di-p-toluoyl-L-tartaric acid - ≥97% , CAS No.32634-66-5

CAS: 32634-66-5 Cat. No.: D107981 Peso molecular: 386.35 Beilstein Registry Number: 2022481 Número EC: 251-131-7

GRADE & PURITY ≥97%

Synonyms

L-(-)-DTTA | (-)-O,O'-Di-p-toluoyl-L-tartaric acid | di-p-Toluoyl-L-tartaric acid | (-)-Di-p-toluoyl-L-tartaric acid | AM81409 | DH4M72TU6M | (2r,3r)-2,3-bis(4-methylbenzoyloxy)succinic acid | (-)-O,O'-Di-p-toluoyl-L-tartaric acid, 97% | L-(-)-di-p-Toluoy

Storage

Argon charged,Desiccated,Room temperature

Shipped In

Normal

Specifications

Sinónimos

L-(-)-DTTA | (-)-O, O'-Di-p-toluoyl-L-tartaric acid | di-p-Toluoyl-L-tartaric acid | (-)-Di-p-toluoyl-L-tartaric acid | AM81409 | DH4M72TU6M | (2r, 3r)-2, 3-bis(4-methylbenzoyloxy)succinic acid | (-)-O, O'-Di-p-toluoyl-L-tartaric acid, 97% | L-(-)-di-p-Toluoy

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Desiccated, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504762369
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762369
• Sonrisas canónicas: CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O
• IUPAC Name: (2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid
• InChIKey: CMIBUZBMZCBCAT-HZPDHXFCSA-N
• INCHI: 1S/C20H18O8/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t15-,16-/m1/s1
• Isómeros SMILES: CC1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O
• WGK Alemania: 3
• Peso molecular: 386.35
• Beilstein: 2022481
• Reaxy-Rn: 1510986
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1510986&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: Benzoic acid esters Benzoyl derivatives Toluenes 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 - Toluene - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Carboxylic acid ester - Carboxylic acid - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Aromatic homomonocyclic 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: Hygroscopic.
• Rotación específica [α]: -139 ° (C=1, EtOH)
• Punto de fusión (°C): 164-170°C
• Peso molecular: 386.400 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 386.1 Da
• Monoisotopic Mass: 386.1 Da
• Topological Polar Surface Area: 127.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 533.000
• 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