Alpha-D-Glucose (HCID 79025)

名称と識別子

優先名称: Alpha-D-Glucose
IUPAC: (2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
現地名: (2S)-2α,3α,4β,5α-テトラヒドロキシテトラヒドロ-2H-ピラン-6β-メタノール
英語名: Dextrose
分子式: C6H12O6
分子量: 180.16

名称と別名

alpha-D-glucose492-62-6alpha-D-Glucopyranosealpha-Dextrose(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol5J5I9EB41ECHEBI:17925DTXSID30197710RefChem:936358GlyTouCan:G58161NSDTXCID90120201G58161NS

名称をさらに表示

(2S)-2α,3α,4β,5α-テトラヒドロキシテトラヒドロ-2H-ピラン-6β-メタノールα-D-グルコースD-ブドウ糖α-グルコースα-D-グルコピラノースΑ-D(+)-グルコース(無水)Α‐D(+)‐グルコース(無水)D-(+)-グルコースぶどう糖D-グルコース無水物グルコース溶液(2S,3R,4S,5S,6R)-6-(ヒドロキシメチル)オキサン-2,3,4,5-テトラオール(2S,3R,4S,5S,6R)-6-(ヒドロキシメチル)テトラヒドロ-2H-ピラン-2,3,4,5-テトラオールα-D-GlucoseD-GLCGLUCOSE STANDARDGlucose solutionGLUCOSUM

207-757-8607-980-4alpha-glucoseGlucopyranose, alpha-D-(2S,3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraola-D-Glucosealpha-d(+)-glucoseMFCD00063774

データベース識別子

CAS: 492-62-6
PubChem CID: 79025
DTXSID: DTXSID30197710
ChEMBL: CHEMBL423707
ChEBI: CHEBI:28102
UNII: 5J5I9EB41E
EC Number: 207-757-8
Nikkaji: J44.217H

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

Solubility500 mg/mL at 20 °C

Melting Point146 °C

Physical Description · 2 件

White crystalline powder; Odorless; [Acros Organics MSDS]

Solid

Collision Cross Section · 3 件

146.2 Å² [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

146.6 Å² [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

146.5 Å² [M+Na]+；147.1 Å² [M+Na]+

物理化学的性質

融点: 153 · 153-156 °C(lit.)
沸点: 232.96 °C · 232.96°C (rough estimate)
比重(密度): 1.544 g/cm3 · 1.544g/cm3
屈折率: 20 · n20/D 1.362
貯蔵温度: Sealed in dry,Room Temperature
溶解性: 2 O: · H2O: 1M at20℃、透明、無色
外見: 解決
酸解離定数(Pka): 12.12 · 12.12±0.70(Predicted)
色: 白い
PH: 5 · 5.0-8.0 (25℃)
臭い (Odor): 無臭
水溶解度: 450.5 g/L · 450.5g/L(25℃)
BRN: 1281608 · 1281608
InChI: 1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKey: WQZGKKKJIJFFOK-DVKNGEFBSA-N
SMILES: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
LogP: -1.88 · -1.880 (est)
CAS データベース: 492 · 492-62-6(CAS DataBase Reference)
CAS Number Unlabeled: 50 · 50-99-7

化学的性質

化学的特性white, odorless, fine crystalline powder

安全と法規制

GHS分類

GHS Classification · 3 件

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.

危険有害性情報

Regulatory Information · 2 件

Chemical: .alpha.-D-Glucopyranose

.alpha.-D-Glucopyranose: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - .alpha.-D-Glucopyranose: Human health tier I assessment；IMAP assessments - .alpha.-D-Glucopyranose: Environment tier I assessment

Hazards SummaryMay cause irritation; [Acros Organics MSDS] See Glucose.

Hazard Classes and CategoriesNot Classified

法規制情報

Regulatory Information · 2 件

Chemical: .alpha.-D-Glucopyranose

.alpha.-D-Glucopyranose: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F: 3
wgk: 3
rtecs: LZ6600000
hs_code: 17023000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

Tissue LocationsEpidermis；Intestine

Cellular LocationsCytoplasm

Metabolite Pathways · 1 件

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

用途と製造

Use ClassificationCosmetics -> Skin conditioning

応用分野 · 1 件

使用α-D-Glucose is used:As a reducing agent in the preparation superparamagnetic ferrous oxide (Fe3O4) nanoparticles and silver nanocrystals.As an additive for the formation of isoporous polystyrene-block-poly(4-vinylpyridine) (PS-b-P4VP) diblock copolymer membranes.For glycosylation of cell-penetrating poly(disulfide)s (CPDs) with improved solubility to achieve multifunctional cellular uptake.As a precursor in the synthesis of metal/carbon nanohybrids under hydrothermal conditions.

調製方法 · 1 件

純化方法Recrystallise -D-glucose slowly from aqueous 80% EtOH, then dry it over P2O5 in vacuo. Alternatively, crystallise it from water at 55o, then dry it for 6hours in a vacuum oven between 60-70o/2mm. Its solubilities are: H2O (~50%), EtOH (1.7%). [Hendricks et al. J Am Chem Soc 56 99 1934, Beilstein 1 IV 4302.] [For equilibrium forms see Angyal Adv Carbohydr Chem 42 15 1984, Angyal & Pickles Aust J Chem 25 1711 1972.]