2-(β-Glucosyl)glycerol - ≥98% , CAS No.10588-30-4

CAS: 10588-30-4 Cat. No.: G352514 Molecular Weight: 254.23

GRADE & PURITY ≥98%

Synonyms

Lilioside B | 2-(beta-Glucosyl)glycerol | Q27102591 | beta,beta'-dihydroxyisopropyl beta-D-glucopyranoside | SCHEMBL2300084 | (2R,3R,4S,5S,6R)-2-[(1,3-dihydroxypropan-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol | W-200746 | 2-(beta-D-Glucopyranosyloxy)-1

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

2-(β-Glucosyl)glycerol is a component contained in cosmetic formulation. Diesters of glycosylglycerols are active in cancer chemo-prevention.

Specifications

Synonyms

Lilioside B | 2-(beta-Glucosyl)glycerol | Q27102591 | beta, beta'-dihydroxyisopropyl beta-D-glucopyranoside | SCHEMBL2300084 | (2R, 3R, 4S, 5S, 6R)-2-[(1, 3-dihydroxypropan-2-yl)oxy]-6-(hydroxymethyl)oxane-3, 4, 5-triol | W-200746 | 2-(beta-D-Glucopyranosyloxy)-1

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

• Pubchem Sid: 488189806
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189806
• Canonical Smiles: C(C1C(C(C(C(O1)OC(CO)CO)O)O)O)O
• IUPAC Name: (2R,3R,4S,5S,6R)-2-(1,3-dihydroxypropan-2-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol
• InChIKey: AQTKXCPRNZDOJU-SYHAXYEDSA-N
• INCHI: 1S/C9H18O8/c10-1-4(2-11)16-9-8(15)7(14)6(13)5(3-12)17-9/h4-15H,1-3H2/t5-,6-,7+,8-,9-/m1/s1
• Isomeric SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(CO)CO)O)O)O)O
• Molecular Weight: 254.23
• Reaxy-Rn: 25785539
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25785539&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Glycerolipids
      • Subclass Glycosylglycerols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Glycerolipids
• Subclass: Glycosylglycerols
• Intermediate Tree Nodes: Not available
• Direct Parent: Glycosylglycerols
• Alternative Parents: O-glycosyl compounds Oxanes Monosaccharides Secondary alcohols Polyols Oxacyclic compounds Acetals Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Glycosylglycerol - Glycosyl compound - O-glycosyl compound - Monosaccharide - Oxane - Secondary alcohol - Polyol - Oxacycle - Acetal - Organoheterocyclic compound - Primary alcohol - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as glycosylglycerols. These are glycerolipids structurally characterized by the presence of one or more sugar residues attached to glycerol via a glycosidic linkage.
• External Descriptors: beta-D-glucoside - glucosylglycerol

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 Methanol
• Sensitivity: Moisture sensitive
• Boil Point(°C): ~606.1° C at 760 mmHg (Predicted)
• Melt Point(°C): 189.00° C (Predicted)
• Molecular Weight: 254.230 g/mol
• XLogP3: -3.500
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 254.1 Da
• Monoisotopic Mass: 254.1 Da
• Topological Polar Surface Area: 140.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 221.000
• 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