6-Bromo-2-naphthyl-α-D-galactopyranoside - ≥98% , CAS No.25997-59-5

CAS: 25997-59-5 Cat. No.: B350049 Molecular Weight: 385.21 EC Number: 247-398-4

GRADE & PURITY ≥98%

Synonyms

(2R,3R,4S,5R,6R)-2-((6-Bromonaphthalen-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol | 6-Bromo-2-naphthalenyl alpha-D-galactopyranoside | .ALPHA.-D-GALACTOPYRANOSIDE, 6-BROMO-2-NAPHTHALENYL | 6-bromo-2-naphthyl alpha-D-galactoside | 6-Bromo-2

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

6-Bromo-2-naphthyl-α-D-galactopyranoside is a substrate of α-gal A and a useful reagent for the determination of α-D-galactosidase activity.

Specifications

Synonyms

(2R, 3R, 4S, 5R, 6R)-2-((6-Bromonaphthalen-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3, 4, 5-triol | 6-Bromo-2-naphthalenyl alpha-D-galactopyranoside | .ALPHA.-D-GALACTOPYRANOSIDE, 6-BROMO-2-NAPHTHALENYL | 6-bromo-2-naphthyl alpha-D-galactoside | 6-Bromo-2

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC2=C(C=CC(=C2)Br)C=C1OC3C(C(C(C(O3)CO)O)O)O
• IUPAC Name: (2R,3R,4S,5R,6R)-2-(6-bromonaphthalen-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• InChIKey: NLRXQZJJCPRATR-CWVYHPPDSA-N
• INCHI: 1S/C16H17BrO6/c17-10-3-1-9-6-11(4-2-8(9)5-10)22-16-15(21)14(20)13(19)12(7-18)23-16/h1-6,12-16,18-21H,7H2/t12-,13+,14+,15-,16+/m1/s1
• Isomeric SMILES: C1=CC2=C(C=CC(=C2)Br)C=C1O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O
• Molecular Weight: 385.21
• Reaxy-Rn: 25965916
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25965916&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: Phenolic glycosides
• Alternative Parents: Hexoses O-glycosyl compounds Naphthalenes Oxanes Aryl bromides Secondary alcohols Polyols Oxacyclic compounds Acetals Primary alcohols Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenolic glycoside - Hexose monosaccharide - O-glycosyl compound - Naphthalene - Aryl bromide - Aryl halide - Monosaccharide - Oxane - Benzenoid - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Acetal - Polyol - Organobromide - Organohalogen compound - Hydrocarbon derivative - Primary alcohol - Alcohol - Aromatic heteropolycyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in water, methanol, and pyridine.
• Refractive Index: n20D1.70 (Predicted)
• Boil Point(°C): 608.65° C at 760 mmHg (Predicted)
• Melt Point(°C): 225° C
• Molecular Weight: 385.210 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 384.021 Da
• Monoisotopic Mass: 384.021 Da
• Topological Polar Surface Area: 99.400 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 397.000
• 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: 1