uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06703406B2
查看IDENTITY
结构与身份
- 标准SMILES
- OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
- InChIKey
- WQZGKKKJIJFFOK-DVKNGEFBSA-N
- 分子式
- C6H12O6
- 平均分子量
- 180.16 g/mol
- 单同位素质量
- 180.0633881
COMPUTED
结构计算性质
- XLogP
- -2.6
- 极性表面积
- 110 Ų
- 氢键供体
- 5
- 氢键受体
- 6
- 可旋转键
- 1
- 重原子
- 12
- 形式电荷
- 0
- 复杂度
- 151
PROPERTIES
实验与物化性质
Solubility
500 mg/mL at 20 °C
Melting Point
146 °C
Physical Description
White crystalline powder; Odorless; [Acros Organics MSDS]
Solid
Collision Cross Section
146.2 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
146.6 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
146.5 Ų [M+Na]+;147.1 Ų [M+Na]+
GHS
GHS分类
GHS Classification
This chemical does not meet GHS hazard criteria for 98% (48 of 49) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 48 of 49 companies (only 2% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 49 reports by companies from 3 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 48 of 49 reports by companies.;There is 1 notification provided by 1 of 49 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
HAZARDS
危害信息
Regulatory Information
Chemical: .alpha.-D-Glucopyranose
.alpha.-D-Glucopyranose: Does not have an individual approval but may be used under an appropriate group standard
Other Safety Information
IMAP assessments - .alpha.-D-Glucopyranose: Human health tier I assessment;IMAP assessments - .alpha.-D-Glucopyranose: Environment tier I assessment
Hazards Summary
May cause irritation; [Acros Organics MSDS] See Glucose.
Hazard Classes and Categories
Not Classified
REGULATORY
法规信息
Regulatory Information
Chemical: .alpha.-D-Glucopyranose
.alpha.-D-Glucopyranose: Does not have an individual approval but may be used under an appropriate group standard
PHARMACOLOGY
药理信息
Tissue Locations
Epidermis;Intestine
Cellular Locations
Cytoplasm
Metabolite Pathways
Fanconi-bickel syndrome;Fructose and mannose metabolism;Fructose intolerance, hereditary;Fructose-1,6-diphosphatase deficiency;Fructosuria;Galactose Metabolism;Galactosemia;Galactosemia II (GALK);Galactosemia III;Glycogen Storage Disease Type 1A (GSD1A) or Von Gierke Disease;Total 28 pathways, visit the HMDB page for details
USES
用途与制造
Use Classification
Cosmetics -> Skin conditioning
ALIASES
名称与别名
REACTIONS
参与反应
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