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

CAS: 528-50-7 Cat. No.: D424530 분자식: C₁₂H₂₂O₁₁ 분자량: 342.3 Beilstein Registry Number: 93795 EC 번호: 208-436-5

등급 & 순도 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

개요

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.

사양

동의어

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

사양 및 순도

10mM in Water

생화학 및 생리적 메커니즘

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

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

Pubchem Sid

528774549

Pubchem Sid Url

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

정식 스마일

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

이성체 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 독일

3

분자량

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
    • 분류 Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 O-glycosyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 특정 회전[α]: 34 ° (C=8, H2O)
• 녹는점(°C): 239°C
• 분자량: 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