Beta-D-Glucose
基本情報
- CAS
136760-05-9- 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-glucoseBeta-D-glucose anhydrousCHEBI:15903J4R00M814DGlyTouCan:G71142DFBeta-d-glucose, anhydrousDTXSID70883403RefChem:143637207-756-2
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)-
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
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 Ų
- 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 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]+
物理化学的性質
- 沸点
- 443.2 · 443.2±45.0 °C(Predicted)
- 比重(密度)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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%)
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
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
関連反応
8 件
化合物ノート
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