(-)-Dimethyl D-tartrate - ≥98%(GC) , CAS No.13171-64-7

CAS: 13171-64-7 Cat. No.: D138152 Formula: [-CH(OH)CO₂CH₃]₂ Peso molecolare: 178.14 Beilstein Registry Number: 1726254 Numero EC: 236-118-6

GRADE & PURITY ≥98%(GC)

Synonyms

A828184 | AM81412 | AS-11873 | dimethyl (2S,3S)-2,3-dihydroxybutanedioate | EINECS 236-118-6 | Racemic dimethyl tartrate | (-)-Dimethyl D-tartrate | DL-Dimethyl tartarate | Dimethyl-D-tartrate | (-)-Dimethyl D-tartrate, 99% | Dimethyl (2S,3S)-2,3-Dihydrox

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinonimi

A828184 | AM81412 | AS-11873 | dimethyl (2S,3S)-2,3-dihydroxybutanedioate | EINECS 236-118-6 | Racemic dimethyl tartrate | (-)-Dimethyl D-tartrate | DL-Dimethyl tartarate | Dimethyl-D-tartrate | (-)-Dimethyl D-tartrate, 99% | Dimethyl (2S,3S)-2,3-Dihydrox

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 504753022
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753022
• Sorrisi canonici: COC(=O)C(C(C(=O)OC)O)O
• IUPAC Name: dimethyl (2S,3S)-2,3-dihydroxybutanedioate
• InChIKey: PVRATXCXJDHJJN-IMJSIDKUSA-N
• INCHI: 1S/C6H10O6/c1-11-5(9)3(7)4(8)6(10)12-2/h3-4,7-8H,1-2H3/t3-,4-/m0/s1
• Isomeri SMILES: COC(=O)[C@H]([C@@H](C(=O)OC)O)O
• Peso molecolare: 178.14
• Beilstein: 1726254
• Reaxy-Rn: 1726253
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1726253&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Hydroxy acids and derivatives
      • Subclass Beta hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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 Monosaccharides Dicarboxylic acids and derivatives Methyl esters Secondary alcohols 1,2-diols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta-hydroxy acid - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Monosaccharide - Methyl ester - 1,2-diol - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alcohol - Aliphatic acyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Rotazione specifica [α]: -21°(C=1, H2O)
• Punto di infiammabilità (°F): >170℃
• Punto di infiammabilità (°C): >170℃
• Punto di ebollizione (°C): 158 °C
• Punto di fusione (°C): 60°C-65°C
• Peso molecolare: 178.140 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 178.048 Da
• Monoisotopic Mass: 178.048 Da
• Topological Polar Surface Area: 93.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 157.000
• 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