(1S)-2-(アセチルアミノ)-2-デオキシ-D-グルコピラノース
(1S)-2-(アセチルアミノ)-2-デオキシ-D-グルコピラノース · N-アセチル-α-D-グルコサミン · 2-(アセチルアミノ)-2-デオキシ-α-D-グルコピラノース · 2-アセチルアミノ-2-デオキシ-α-D-グルコピラノース · (2S)-2α,4β,5α-トリヒドロキシ-3α-(アセチルアミノ)テトラヒドロ-2H-ピラン-6β-メタノール · N-[(2S,3R,4R,5S,6R)-2,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-3-イル]アセトアミド · GLCNAC · NAG
識別子と物理属性
| CAS No. | 10036-64-3 |
|---|---|
| 分子式 | C8H15NO6 |
| 平均分子量 | 221.21 g/mol |
| 単同位体質量 | 221.0899372 g/mol |
| SMILES | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O |
| InChIKey | OVRNDRQMDRJTHS-PVFLNQBWSA-N |
| PubChem CID | 82313 |
| ChEMBL | CHEMBL1234669 |
| ChEBI | CHEBI:44278 |
| EC No. | 233-115-1 |
| DTXSID | DTXSID20905442 |
| 現地名 | (1S)-2-(アセチルアミノ)-2-デオキシ-D-グルコピラノース |
化学・物理的性質
| XLogP | -1.7 |
|---|---|
| 極性表面積 | 119 |
| 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 | 2 |
| 重原子数 | 15 |
| 形式電荷 | 0 |
| 複雑度 | 235 |
| 医薬品 | Pharmaceuticals -> Listed in ZINC15 |
| 化粧品 | Skin conditioning |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| 融点 | 211 °C |
| 沸点 | 595.4±50.0 °C(Predicted) |
| 密度 | 1.50 |
| 貯蔵条件 | Refrigerator (+4°C) |
| pKa（酸解離定数） | 12.04±0.70(Predicted) |
| 外観・状態 | powder |
| 色 | White |
| 化粧品成分の機能 | スキンコンディショニング |
| InChI | InChI=1/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8+/s3 |
| InChIKey | OVRNDRQMDRJTHS-UWNFICOENA-N |
| SMILES | N([C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O)C(=O)C |&1:1,2,4,7,9,r| |
| LogP（分配係数） | -2.314 (est) |
| CAS データベース | 10036-64-3(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 100% (44 of 44) of all reports.Not ClassifiedAggregated GHS information provided per 44 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| 規制情報 | .alpha.-D-Glucopyranose, 2-(acetylamino)-2-deoxy-: 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. |
| Hazard Classes and Categories | Not Classified |
| 税関コード | 29329900 |
| 危険表示 | Xi |
| 安全措置（S） | 24/25 |
用途
説明
N-Acetyl-α-D-glucosamine is a low energy, vivo animal, chemical biology, expressed, oligosaccharides, acceptor. It is an acetylated amino sugar that can be found in the cell membrane surface of bacteria and is also a protein target for acetylation.
使用
N-Acetyl-α-D-glucosamine has been shown to be involved in protein synthesis and growth factor activity. It has been used as a substrate for the production of monoclonal antibodies and has been shown to have stereoselective effects on the antibody response.