D-アルトロース
D-アルトロース · D(+)-アルトロース · D(+)‐アルトロース · D-アルトロース, 99.5+%(HPLC) · D-アルトロース, 99+%(HPLC) · D-(+)-アルトロース · アルトロース, D- · D(-)-アルトロース
識別子と物理属性
| CAS No. | 1990-29-0 |
|---|---|
| 分子式 | C6H12O6 |
| 平均分子量 | 180.16 g/mol |
| 単同位体質量 | 180.0633881 g/mol |
| SMILES | O=CC(O)C(O)C(O)C(O)CO |
| InChIKey | GZCGUPFRVQAUEE-UHFFFAOYSA-N |
| PubChem CID | 24749 |
| ChEMBL | CHEMBL1206211 |
| ChEBI | CHEBI:33917 |
| EC No. | 222-392-4 |
| DTXSID | DTXSID70860057 |
| 現地名 | D-アルトロース |
化学・物理的性質
| XLogP | -2.9 |
|---|---|
| 極性表面積 | 118 |
| 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 | 5 |
| 重原子数 | 12 |
| 形式電荷 | 0 |
| 複雑度 | 138 |
| 物質分類 | Biological Agents -> Monosaccharides and Derivatives |
| 医薬品 | Pharmaceuticals |
| 蒸気圧 | 0.00000002 [mmHg] |
| Physical Description | White hygroscopic powder[Alfa Aesar MSDS] |
| 融点 | 106-108 °C |
| 比旋光度 | D20 +32.6° (c = 7.6) |
| 沸点 | 232.96°C (rough estimate) |
| 密度 | 1.581 |
| 屈折率 | 1.5860 (estimate) |
| 貯蔵条件 | 2-8°C |
| 溶解度 | DMSO（微量）、メタノール（微量、加温）、水（微量） |
| 外観・状態 | 粉 |
| pKa（酸解離定数） | 12.45±0.20(Predicted) |
| 色 | ホワイトからオフホワイト |
| Merck | 13,319 |
| BRN | 1724621 |
| InChI | 1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2 |
| InChIKey | GZCGUPFRVQAUEE-UHFFFAOYSA-N |
| SMILES | OC[C@H]1OC(O)[C@@H](O)[C@H](O)[C@@H]1O |
| LogP（分配係数） | -3.290 (est) |
| CAS データベース | 1990-29-0(CAS DataBase Reference) |
化学的特性
white to off-white powder
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 99.4% (158 of 159) of all reports.Not ClassifiedAggregated GHS information provided per 159 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| 規制情報 | Chemical: D-MannoseChemical: Liquid glucoseStatus: Active Update: 15-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23819D-Mannose: Does not have an individual approval but may be used under an appropriate group standardLiquid 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. |
| その他の安全情報 | IMAP assessments - D-Mannose: Human health tier I assessmentIMAP assessments - Liquid glucose: Human health tier I assessment |
| 有害性の概要 | May cause irritation[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Not Classified |
| 水環境危害等級（WGK） | 3 |
| 税関コード | 29400090 |
| 危険文句（R） | 36/37/38 |
| 危険表示 | Xi |
| 安全措置（S） | 24/25-36-26 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
使用
D-Altrose is the epimer of D-glucose at C3 and have recently been discovered to possess antioxidant properties by the suppression of reactive oxygen species production in mitochondria due to competiti on with D-glucose at the cellular level.
製法・合成法
純化方法
Crystallise D-altrose from aqueous EtOH. If it is obtained by the hydrolysis of the acetate, then it may contain sodium and acetate ions. Ions are best removed by dissolving in H2O, passing through suitable columns of ion-exchange resins, e.g. Amberlite IR-120 and Duolite A, and concentrating in a vacuum to a syrup. This is dissolved in MeOH, filtered and evaporated in a vacuum desiccator over granular CaCl2. The thick syrup is inoculated with seed crystals, stirred, and before it sets to a magma of crystals, transfer the crystals with MeOH to a Büchner funnel. Recrystallise them in the same way. -D-Altrofuranoside has initial [] D ~-69o (c 4, H2O) which mutarotates to +33o. [Richtmeyer Methods in Carbohydrate Chemistry I 107 Academic Press 1962, Beilstein 1 IV 4301, see Angyal Adv Carbohydrate Chem Biochem 42 15 1984 for ratio of anomers in solution.]