Beta-D-Glucose
Grundinformationen
- CAS
136760-05-9- Standard-SMILES
OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
WQZGKKKJIJFFOK-VFUOTHLCSA-N- Summenformel
- C6H12O6
- Durchschnittliche Molmasse
- 180,16 g/mol
- Monoisotopische Masse
- 180,0633881
Überblick
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.
Namen und Bezeichner
- Bevorzugter Name
- Beta-D-Glucose
- IUPAC
- (2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
- Englischer Name
- .beta.-D-ribo-Hexopyranose, 1,6-anhydro-3-deoxy-2-O-phenyl-4-O-(phenylmethyl)-
- Summenformel
- C19H20O4
- Molmasse
- 312.37
Namen und Synonyme
beta-D-glucose492-61-5beta-D-glucopyranosebeta-glucoseBeta-D-glucose anhydrousCHEBI:15903J4R00M814DGlyTouCan:G71142DFBeta-d-glucose, anhydrousDTXSID70883403RefChem:143637207-756-2
Weitere Namen anzeigen
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)-
DTXCID701022937G71142DFglucoside28905-12-6beta-Dextrose(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol(1->3)-beta-D-glucan(2R,3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol
Datenbank-Bezeichner
- 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
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -2,6
- Polarare Oberfläche (TPSA)
- 110 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 151
Experimentelle und physikochemische Eigenschaften
Chemical ClassesBiological Agents -> Monosaccharides and Derivatives
DrugsPharmaceuticals -> Listed in ZINC15
CosmeticsStabilizing
SpringerMaterials PropertiesCrystal structure
LogP-3.24
Solubility1200.0 mg/mL
Melting Point146 - 150 °C
Physical Description
Solid; [Merck Index] White crystalline powder; [Sigma-Aldrich MSDS]
Solid
Dissociation Constants12.9 (at 0 °C)
Collision Cross Section146.8 Ų [M+Na]+
Physikochemische Eigenschaften
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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.
Gefahrenhinweise
Regulatory Information
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)
REACH registered substance: Oxidase, glucose (EC: 232-601-0)
.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 SummarySee Glucose.
Hazard Classes and CategoriesResp. Sens. 1 (99.3%)
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsAdipose Tissue
Cellular LocationsEndoplasmic reticulum
Metabolite PathwaysCongenital disorder of glycosylation CDG-IId
Verwendung und Herstellung
UsesUsed as an antihypoglycemic drug and a fluid and nutrient replenisher; [Merck Index]
U.S. Production2022: 7,000 lb
Use ClassificationCosmetics -> Stabilizing
General Manufacturing Information.beta.-D-Glucopyranose: INACTIVE
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