p-Tolyl 1-thio-β-D-glucopyranoside - ≥98% , CAS No.1152-39-2

CAS: 1152-39-2 Cat. No.: P352035 Molecular Weight: 286.35

GRADE & PURITY ≥98%

Synonyms

(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(p-tolylthio)tetrahydro-2H-pyran-3,4,5-triol | SCHEMBL3322973 | 4-Methylphenyl 1-thio-beta-D-glucopyranoside | p-Tolyl 1-thio- beta -D-glucopyranoside | p-Tolyl beta-D-thioglucopyranoside | 4-Methylphenyl 1-thio-b-D-gl

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

4-Methylphenyl 1-thio-β-D-glucopyranoside is a class of biochemical reagents used in glycobiology research. Glycobiology studies the structure, synthesis, biology, and evolution of sugars. It involves carbohydrate chemistry, enzymology of glycan formation and degradation, protein-glycan recognition, and the role of glycans in biological systems. This field is closely related to basic research, biomedicine, and biotechnology

Specifications

Synonyms

(2R, 3S, 4S, 5R, 6S)-2-(Hydroxymethyl)-6-(p-tolylthio)tetrahydro-2H-pyran-3, 4, 5-triol | SCHEMBL3322973 | 4-Methylphenyl 1-thio-beta-D-glucopyranoside | p-Tolyl 1-thio- beta -D-glucopyranoside | p-Tolyl beta-D-thioglucopyranoside | 4-Methylphenyl 1-thio-b-D-gl

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=CC=C(C=C1)SC2C(C(C(C(O2)CO)O)O)O
• IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol
• InChIKey: IQCLIQLFPVKINX-LBELIVKGSA-N
• INCHI: 1S/C13H18O5S/c1-7-2-4-8(5-3-7)19-13-12(17)11(16)10(15)9(6-14)18-13/h2-5,9-17H,6H2,1H3/t9-,10-,11+,12-,13+/m1/s1
• Isomeric SMILES: CC1=CC=C(C=C1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
• Molecular Weight: 286.35
• Reaxy-Rn: 43559402
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=43559402&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: Thioglycosides
• Alternative Parents: Aryl thioethers Toluenes Oxanes Monosaccharides Monothioacetals Secondary alcohols 1,2-diols Sulfenyl compounds Oxacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: S-glycosyl compound - Aryl thioether - Toluene - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Oxane - Monothioacetal - 1,2-diol - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Polyol - Alcohol - Organosulfur compound - Primary alcohol - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thioglycosides. These are glycoside in which a sugar group is bonded through one carbon to another group via a S-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

• Molecular Weight: 286.350 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 286.087 Da
• Monoisotopic Mass: 286.087 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 282.000
• 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