Potassium sodium tartrate tetrahydrate - UltraBio™, ≥99.5%(NT) , CAS No.6381-59-5

CAS: 6381-59-5 Cat. No.: P755592 Molecular Weight: 282.22 Beilstein Registry Number: 6113568 EC Number: 613-385-0

GRADE & PURITY UltraBio™, ≥99.5%(NT)

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

UltraBio™, ≥99.5%(NT)

Storage

Room temperature

Shipped In

Normal

Grade

UltraBio™

Purity

≥99.5%(NT)

Names and Identifiers

• PH: 7.0-8.5 (25 °C, 1 M in H 2 O)
• Canonical Smiles: C(C(C(=O)[O-])O)(C(=O)[O-])O.O.O.O.O.[Na+].[K+]
• IUPAC Name: potassium;sodium;2,3-dihydroxybutanedioate;tetrahydrate
• InChIKey: VZOPRCCTKLAGPN-UHFFFAOYSA-L
• INCHI: 1S/C4H6O6.K.Na.4H2O/c5-1(3(7)8)2(6)4(9)10;;;;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;4*1H2/q;2*+1;;;;/p-2
• Isomeric SMILES: C(C(C(=O)[O-])O)(C(=O)[O-])O.O.O.O.O.[Na+].[K+]
• WGK Germany: 1
• Molecular Weight: 282.22
• Beilstein: 6113568
• Reaxy-Rn: 13494501
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13494501&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Hydroxy acids and derivatives
• Subclass: Beta hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta hydroxy acids and derivatives
• Alternative Parents: Short-chain hydroxy acids and derivatives Monosaccharides Fatty acids and conjugates Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid salts 1,2-diols Carboxylic acids Organic sodium salts Organic potassium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta-hydroxy acid - Short-chain hydroxy acid - Fatty acid - Dicarboxylic acid or derivatives - Monosaccharide - 1,2-diol - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Organic oxygen compound - Organooxygen compound - Organic salt - Organic potassium salt - Organic sodium salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Alcohol - Aliphatic acyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: H 2 O: 1 M at 20 °C, clear, colorless
• Specific Rotation[α]: 22 ° (C=10, H2O)
• Melt Point(°C): 70-80°C
• Molecular Weight: 282.220 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 1
• Exact Mass: 281.997 Da
• Monoisotopic Mass: 281.997 Da
• Topological Polar Surface Area: 125.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 123.000
• 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: 7

XLogP3

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