4-Nitrophenyl-β-D-glucuronic acid, Sodium Salt - ≥98% , CAS No.89772-41-8

CAS: 89772-41-8 Cat. No.: N292259 Peso molecular: 337.21 PubChem CID: 11336639

GRADE & PURITY ≥98%

Synonyms

89772-41-8|Sodium (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-nitrophenoxy)tetrahydro-2H-pyran-2-carboxylate|4-Nitrophenyl-beta-D-glucuronic acid, sodium salt|sodium;(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-nitrophenoxy)oxane-2-carboxylate|Sodium (2S,3S,4S,5R,6S

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

89772-41-8 | Sodium (2S, 3S, 4S, 5R, 6S)-3, 4, 5-trihydroxy-6-(4-nitrophenoxy)tetrahydro-2H-pyran-2-carboxylate | 4-Nitrophenyl-beta-D-glucuronic acid, sodium salt | sodium;(2S, 3S, 4S, 5R, 6S)-3, 4, 5-trihydroxy-6-(4-nitrophenoxy)oxane-2-carboxylate | Sodium (2S, 3S, 4S, 5R, 6S

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC=C1[N+](=O)[O-])OC2C(C(C(C(O2)C(=O)[O-])O)O)O.[Na+]
• IUPAC Name: sodium;(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-nitrophenoxy)oxane-2-carboxylate
• InChIKey: XZSCXLWCVBZJEE-BLKPXHQLSA-M
• INCHI: 1S/C12H13NO9.Na/c14-7-8(15)10(11(17)18)22-12(9(7)16)21-6-3-1-5(2-4-6)13(19)20;/h1-4,7-10,12,14-16H,(H,17,18);/q;+1/p-1/t7-,8-,9+,10-,12+;/m0./s1
• Isómeros SMILES: C1=CC(=CC=C1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)[O-])O)O)O.[Na+]
• PubChem CID: 11336639
• Peso molecular: 337.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 Phenolic glycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: Phenolic glycosides
• Alternative Parents: O-glucuronides O-glycosyl compounds Nitrobenzenes Phenoxy compounds Phenol ethers Nitroaromatic compounds Beta hydroxy acids and derivatives Pyrans Oxanes Monosaccharides Secondary alcohols Carboxylic acid salts Acetals Propargyl-type 1,3-dipolar organic compounds Polyols Carboxylic acids Monocarboxylic acids and derivatives Oxacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organopnictogen compounds Organonitrogen compounds Organic sodium salts Carbonyl compounds Organic oxides Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - O-glycosyl compound - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Beta-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Monosaccharide - Oxane - Pyran - Benzenoid - Carboxylic acid salt - C-nitro compound - Secondary alcohol - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Organic oxoazanium - Acetal - Organic alkali metal salt - Polyol - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic sodium salt - Organonitrogen compound - Organopnictogen compound - Alcohol - Organic salt - Organic cation - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.
• 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

• Peso molecular: 337.210 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 337.041 Da
• Monoisotopic Mass: 337.041 Da
• Topological Polar Surface Area: 165.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 412.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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: 2

XLogP3