D-Glucuronic acid sodium salt monohydrate - ≥97.5%(non-aqueous titration) , CAS No.207300-70-7

CAS: 207300-70-7 Cat. No.: D471802 Molecular Weight: 234.14 EC Number: 963-761-6 PubChem CID: 24892836

GRADE & PURITY ≥97.5%(non-aqueous titration)

Synonyms

UNII-GLV8D2BUPD | AS-80666 | D-GLUCURONIC ACID SODIUM SALT | SODIUM (2S,3S,4S,5R)-2,3,4,5-TETRAHYDROXY-6-OXOHEXANOATE HYDRATE | Sodium glucuronate monohydrate | Sodium glucuronate hydrate (JAN) | D-Glucuronic acid, sodium salt, hydrate (1:1:1) | E85261 |

Storage

Room temperature

Specifications

Synonyms

UNII-GLV8D2BUPD | AS-80666 | D-GLUCURONIC ACID SODIUM SALT | SODIUM (2S, 3S, 4S, 5R)-2, 3, 4, 5-TETRAHYDROXY-6-OXOHEXANOATE HYDRATE | Sodium glucuronate monohydrate | Sodium glucuronate hydrate (JAN) | D-Glucuronic acid, sodium salt, hydrate (1:1:1) | E85261 |

Specifications & Purity

≥97.5%(non-aqueous titration)

Biochemical and Physiological Mechanisms

Glucuronic acid is a carboxylic acid that is involved in the process of glucuronidation, where glucuronic acid is linked to molecules to allow more efficient transport due to its high water solubility. Most often, it is used to remove toxins from the body

Storage

Room temperature

Purity

≥97.5%(non-aqueous titration)

Names and Identifiers

• Pubchem Sid: 488200715
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200715
• Canonical Smiles: C(=O)C(C(C(C(C(=O)[O-])O)O)O)O.O.[Na+]
• IUPAC Name: sodium;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate;hydrate
• InChIKey: ICQRTPLATMRWJI-JLWXJWIASA-M
• INCHI: 1S/C6H10O7.Na.H2O/c7-1-2(8)3(9)4(10)5(11)6(12)13;;/h1-5,8-11H,(H,12,13);;1H2/q;+1;/p-1/t2-,3+,4-,5-;;/m0../s1
• Isomeric SMILES: C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)[O-])O)O)O)O.O.[Na+]
• Alternate CAS: 14984-34-0
• PubChem CID: 24892836
• Molecular Weight: 234.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Sugar acids and derivatives
          • Level6 Glucuronic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Sugar acids and derivatives
• Direct Parent: Glucuronic acid derivatives
• Alternative Parents: Hexoses Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Beta hydroxy acids and derivatives Hydroxy fatty acids Beta-hydroxy aldehydes Alpha-hydroxyaldehydes 1,2-diols Secondary alcohols Carboxylic acid salts Carboxylic acids Monocarboxylic acids and derivatives Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Glucuronic acid or derivatives - Hexose monosaccharide - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Hydroxy fatty acid - Beta-hydroxy aldehyde - Fatty acyl - Fatty acid - Hydroxy acid - Monosaccharide - Alpha-hydroxyaldehyde - Secondary alcohol - 1,2-diol - Carboxylic acid salt - Monocarboxylic acid or derivatives - Polyol - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Organic zwitterion - Organic sodium salt - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aldehyde - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as glucuronic acid derivatives. These are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.
• 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

• Sensitivity: Moisture sensitive
• Flash Point(°F): Not applicable
• Flash Point(°C): Not applicable
• Melt Point(°C): 138℃ (dec.) (lit.)
• Molecular Weight: 234.140 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 234.035 Da
• Monoisotopic Mass: 234.035 Da
• Topological Polar Surface Area: 139.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 197.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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: 3

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