D-(+)-Cellobiose - 10mM in Water , CAS No.528-50-7

CAS: 528-50-7 Cat. No.: D424530 Formula: C₁₂H₂₂O₁₁ Molecular Weight: 342.3 Beilstein Registry Number: 93795 EC Number: 208-436-5

GRADE & PURITY 10mM in Water

Synonyms

D-(+)-Cellobiose|cellobiose|beta-Cellobiose|528-50-7|D-Cellobiose|D(+)-Cellobiose|Cellose|4-(beta-D-Glucosido)-D-glucose|4-O-beta-D-Glucopyranosyl-D-glucose|AI3-18877|CHEBI:36217|4-O-beta-D-glucopyranosyl-beta-D-glucopyranose|D-Glucosyl-beta-(1-4)-D-gluco

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

D-(+)-Cellobiose is used to differentiate bacteria based on carbohydrate fermentation abilities. It is a β-glucosidase substrate. Also used as as a chemical raw material and for foods, as a low-sweetness sugar.

Specifications

Synonyms

D-(+)-Cellobiose | cellobiose | beta-Cellobiose | 528-50-7 | D-Cellobiose | D(+)-Cellobiose | Cellose | 4-(beta-D-Glucosido)-D-glucose | 4-O-beta-D-Glucopyranosyl-D-glucose | AI3-18877 | CHEBI:36217 | 4-O-beta-D-glucopyranosyl-beta-D-glucopyranose | D-Glucosyl-beta-(1-4)-D-gluco

Specifications & Purity

10mM in Water

Biochemical and Physiological Mechanisms

Disaccharide consisting of two β-glucose molecules linked by a β-1,4 glycosidic bond. Used as a substrate of β-glucosidase.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Names and Identifiers

Pubchem Sid

528774549

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528774549

Canonical Smiles

C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O

IUPAC Name

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol

InChIKey

GUBGYTABKSRVRQ-QRZGKKJRSA-N

INCHI

1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1

Isomeric SMILES

C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O

WGK Germany

3

Molecular Weight

342.3

Beilstein

93795

Reaxy-Rn

1351180

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1351180&ln=

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: Disaccharides Oxanes Secondary alcohols Hemiacetals Polyols Oxacyclic compounds Acetals Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: O-glycosyl compound - Disaccharide - Oxane - Secondary alcohol - Hemiacetal - Oxacycle - Organoheterocyclic compound - Polyol - Acetal - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic heteromonocyclic 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: cellobiose

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

• x_specific_rotation: 34 ° (C=8, H2O)
• x_melt_point_char: 239°C
• Molecular Weight: 342.300 g/mol
• XLogP3: -4.700
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 4
• Exact Mass: 342.116 Da
• Monoisotopic Mass: 342.116 Da
• Topological Polar Surface Area: 190.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 382.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• 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