DL-Weinsäure - AR , CAS No.133-37-9

CAS: 133-37-9 Cat. No.: T104048 Summenformel: C₄H₆O₆ Molekulargewicht: 150.09 Beilstein Registry Number: 1725148 EG-Nummer: 205-105-7

GRADE & PURITY AR

Synonyms

dl-2,3-dihydroxybutanedioic acid | DTXCID3026986 | FT-0624346 | bmse000167 | DTXSID501031477 | HMS3370M15 | 1007601-97-9 | 2,3-Dihydroxybutanedioic acid | DTXSID5046986 | AKOS016844048 | CAS-133-37-9 | BUTANEDIOIC ACID, 2,3-DIHYDROXY- | Dihydroxysuccinic

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyme

dl-2,3-dihydroxybutanedioic acid | DTXCID3026986 | FT-0624346 | bmse000167 | DTXSID501031477 | HMS3370M15 | 1007601-97-9 | 2,3-Dihydroxybutanedioic acid | DTXSID5046986 | AKOS016844048 | CAS-133-37-9 | BUTANEDIOIC ACID, 2,3-DIHYDROXY- | Dihydroxysuccinic

Spezifikationen & Reinheit

AR

Storage

Room temperature,Desiccated

Verschickt in

Normal

Note

AR

Namen und Kennungen

Pubchem Sid

488179566

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488179566

Kanonisches Lächeln

O[C@@H]([C@H](O)C(O)=O)C(O)=O

IUPAC Name

2,3-dihydroxybutanedioic acid

InChIKey

FEWJPZIEWOKRBE-UHFFFAOYSA-N

INCHI

1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)

Isomere SMILES

C(C(C(=O)O)O)(C(=O)O)O

WGK Deutschland

3

Alternative CAS-Nummer

526-83-0

Molekulargewicht

150.09

Beilstein

1725148

Reaxy-Rn

1725145

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1725145&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Sugar acids and derivatives
• Alternative Parents: Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Monosaccharides Fatty acids and conjugates Dicarboxylic acids and derivatives Alpha hydroxy acids and derivatives Secondary alcohols 1,2-diols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sugar acid - Short-chain hydroxy acid - Beta-hydroxy acid - Fatty acid - Monosaccharide - Hydroxy acid - Dicarboxylic acid or derivatives - Alpha-hydroxy acid - Secondary alcohol - 1,2-diol - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.
• External Descriptors: tetraric acid

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water, alcohol, mineral acids and alkalies.
• Empfindlichkeit: Moisture sensitive.
• Flammpunkt (°F): 410 °F
• Flammpunkt (°C): 210℃
• Schmelzpunkt (°C): 200-206°C
• Molekulargewicht: 150.090 g/mol
• XLogP3: -1.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 150.016 Da
• Monoisotopic Mass: 150.016 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 134.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1