Beta-D-Glucose

HCID 64689CAS 136760-05-9

基本情報

標準SMILES: OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey: WQZGKKKJIJFFOK-VFUOTHLCSA-N
分子式: C6H12O6
平均分子量: 180.16 g/mol
単同位体質量: 180.0633881

概要

Beta-D-glucose is D-Glucopyranose with beta configuration at the anomeric centre. It has a role as an epitope and a mouse metabolite. It is an enantiomer of a beta-L-glucose.

名称と識別子

優先名称: Beta-D-Glucose
IUPAC: (2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
英語名: .beta.-D-ribo-Hexopyranose, 1,6-anhydro-3-deoxy-2-O-phenyl-4-O-(phenylmethyl)-
分子式: C19H20O4
分子量: 312.37

名称と別名

beta-D-glucose492-61-5beta-D-glucopyranosebeta-glucoseCHEBI:15903J4R00M814DBeta-D-glucose anhydrousBeta-d-glucose, anhydrousDTXSID70883403RefChem:143637GlyTouCan:G71142DF207-756-2

名称をさらに表示

β-D-ribo-Hexopyranose, 1,6-anhydro-3-deoxy-2-O-phenyl-4-O-(phenylmethyl)-.beta.-D-ribo-Hexopyranose, 1,6-anhydro-3-deoxy-2-O-phenyl-4-O-(phenylmethyl)-

DTXCID701022937G71142DFglucosideGlucose oxidase28905-12-69001-37-0beta-Dextrose(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

データベース識別子

CAS: 136760-05-9、492-61-5、50-99-7、9001-37-0、9064-51-1
PubChem CID: 64689
DTXSID: DTXSID70883403
ChEMBL: CHEMBL1614854
ChEBI: CHEBI:15903
UNII: J4R00M814D
EC Number: 207-756-2、232-601-0
Nikkaji: J44.213E

物性

構造計算による物性

XLogP: -2.6
極性表面積: 110 Å²
水素結合供与体数: 5
水素結合受容体数: 6
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 151

実験および物理化学的性質

Chemical Classes · 2 件

Biological Agents -> Monosaccharides and Derivatives

Biological Agents -> Enzymes

DrugsPharmaceuticals -> Listed in ZINC15

CosmeticsStabilizing

SpringerMaterials PropertiesCrystal structure

LogP-3.24

Solubility1200.0 mg/mL

物理化学的性質

沸点: 443.2 · 443.2±45.0 °C(Predicted)
比重(密度): 1.22 · 1.22±0.1 g/cm3(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 0.7% (2 of 298) of reports.

Danger

H334 (99.3%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

P233, P260, P271, P284, P304+P340, P342+P316, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 298 reports by companies from 6 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 6 件

Chemical: Oxidase, glucose

.beta.-D-Glucopyranose is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of .beta.-D-Glucopyranose are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

XU - indicates a substance exempt from reporting under the Chemical Data Reporting Rule, (40 CFR 711).

Status: Active Update: 15-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/23509

.beta.-D-ribo-Hexopyranose, 1,6-anhydro-3-deoxy-2-O-phenyl-4-O-(phenylmethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Oxidase, glucose: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationIMAP assessments - Oxidase, glucose: Environment tier I assessment

Hazards Summary · 2 件

See Glucose.

Generally regarded as safe (GRAS) for use in foods; [FDA] May cause respiratory sensitization; [Sigma-Aldrich MSDS] See ENZYMES.

Hazard Classes and CategoriesResp. Sens. 1 (99.3%)

毒性情報

Adverse EffectsAsthma - Reversible bronchoconstriction (narrowing of bronchioles) initiated by the inhalation of irritating or allergenic agents.

化学と産業

薬理情報

Tissue LocationsAdipose Tissue

Cellular LocationsEndoplasmic reticulum

Metabolite PathwaysCongenital disorder of glycosylation CDG-IId

用途と製造

Uses · 2 件

Used as an antihypoglycemic drug and a fluid and nutrient replenisher; [Merck Index]

An enzyme of the oxidoreductase class that catalyzes the conversion of beta-D-glucose and oxygen to D-glucono-1,5-lactone and peroxide. It is a flavoprotein, highly specific for beta-D-glucose. The enzyme is produced by Penicillium notatum and other fungi and has antibacterial activity in the presence of glucose and oxygen. It is used to estimate glucose concentration in blood or urine samples through the formation of colored dyes by the hydrogen peroxide produced in the reaction. (From Enzyme Nomenclature, 1992) EC 1.1.3.4. [ChemIDplus] Used as a reagent for the determination of glucose, to remove glucose in dried egg products, as an antioxidant (food and food wrappers), and as a stabilizer (ascorbic acid and vitamin B12); [Merck Index]

U.S. Production2022: 7,000 lb

Household ProductsInformation on 5 consumer products that contain Glucose oxidase in the following categories is provided:

Use ClassificationCosmetics -> Stabilizing

General Manufacturing Information · 2 件

.beta.-D-Glucopyranose: INACTIVE

Glucose oxidase: ACTIVE