5-Bromo-4-chloro-3-indolyl-α-L-fucopyranoside - ≥98% , CAS No.171869-92-4

CAS: 171869-92-4 Cat. No.: B331648 Molecular Weight: 392.63 PubChem CID: 44164252

GRADE & PURITY ≥98%

Synonyms

X-α-L-fucopyranoside | X-α-L-Fucoside

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

5-Bromo-4-chloro-3-indolyl α-L-fucopyranoside is employed as a chromogenic substrate for α-L-Fucosidase, producing a blue precipitate.

Specifications

Synonyms

X-α-L-fucopyranoside | X-α-L-Fucoside

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: CC1C(C(C(C(O1)OC2=CNC3=C2C(=C(C=C3)Br)Cl)O)O)O
• IUPAC Name: (2S,3S,4R,5S,6S)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-6-methyloxane-3,4,5-triol
• InChIKey: ZMYJTGDNFZJYFN-QRMYAHLGSA-N
• INCHI: 1S/C14H15BrClNO5/c1-5-11(18)12(19)13(20)14(21-5)22-8-4-17-7-3-2-6(15)10(16)9(7)8/h2-5,11-14,17-20H,1H3/t5-,11+,12+,13-,14-/m0/s1
• Isomeric SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC2=CNC3=C2C(=C(C=C3)Br)Cl)O)O)O
• PubChem CID: 44164252
• Molecular Weight: 392.63

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 O-glycosyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: O-glycosyl compounds
• Alternative Parents: Hexoses Indoles Substituted pyrroles Aryl bromides Oxanes Aryl chlorides Benzenoids Heteroaromatic compounds Secondary alcohols Acetals Polyols Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Organobromides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hexose monosaccharide - O-glycosyl compound - Indole - Indole or derivatives - Aryl bromide - Aryl chloride - Aryl halide - Benzenoid - Substituted pyrrole - Monosaccharide - Oxane - Heteroaromatic compound - Pyrrole - Secondary alcohol - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Polyol - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organohalogen compound - Organobromide - Organochloride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
• 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 DMF (5%)
• Sensitivity: moisture sensitive
• Refractive Index: n20D1.71 (Predicted)
• Specific Rotation[α]: α20/D -145.6°, c = 1 in ethyl acetate
• Boil Point(°C): 611.14° C at 760 mmHg (Predicted)
• Melt Point(°C): 175-179° C
• Molecular Weight: 392.630 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 390.982 Da
• Monoisotopic Mass: 390.982 Da
• Topological Polar Surface Area: 94.900 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 405.000
• 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