(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
(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
識別子と物理属性
| CAS No. | 492-62-6 |
|---|---|
| 分子式 | C6H12O6 |
| 平均分子量 | 180.16 g/mol |
| 単同位体質量 | 180.0633881 g/mol |
| SMILES | OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O |
| InChIKey | WQZGKKKJIJFFOK-DVKNGEFBSA-N |
| PubChem CID | 79025 |
| ChEMBL | CHEMBL423707 |
| ChEBI | CHEBI:28102 |
| EC No. | 207-757-8 |
| DTXSID | DTXSID30197710 |
| 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 |
化学・物理的性質
| XLogP | -2.6 |
|---|---|
| 極性表面積 | 110 |
| 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 |
| 溶解度 | 500 mg/mL at 20 °CH2O: 1M at20℃、透明、無色450.5g/L(25℃) |
| 融点 | 146 °C153-156 °C(lit.) |
| Physical Description | White crystalline powderOdorless[Acros Organics MSDS]Solid |
| Collision Cross Section | 146.2 Ų [M+Na]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]146.6 Ų [M+Na]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]146.5 Ų [M+Na]+147.1 Ų [M+Na]+ |
| 沸点 | 232.96°C (rough estimate) |
| 密度 | 1.544g/cm3 |
| 屈折率 | n20/D 1.362 |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 外観・状態 | 解決 |
| pKa（酸解離定数） | 12.12±0.70(Predicted) |
| 色 | 白い |
| pH | 5.0-8.0 (25℃) |
| 臭い | 無臭 |
| BRN | 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（分配係数） | -1.880 (est) |
| CAS データベース | 492-62-6(CAS DataBase Reference) |
| CAS Number Unlabeled | 50-99-7 |
化学的特性
white, odorless, fine crystalline powder
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 98% (48 of 49) of all reports.Not ClassifiedReported 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. |
|---|---|
| 規制情報 | Chemical: .alpha.-D-Glucopyranose.alpha.-D-Glucopyranose: Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | IMAP assessments - .alpha.-D-Glucopyranose: Human health tier I assessmentIMAP assessments - .alpha.-D-Glucopyranose: Environment tier I assessment |
| 有害性の概要 | May cause irritation[Acros Organics MSDS] See Glucose. |
| Hazard Classes and Categories | Not Classified |
| F | 3 |
| 水環境危害等級（WGK） | 3 |
| RTECS 番号 | LZ6600000 |
| 税関コード | 17023000 |
| 危険文句（R） | 36/37/38 |
| 危険表示 | Xi |
| 安全措置（S） | 26-36/37/39 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
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.
製法・合成法
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.]