基本情報
- CAS
13319-32-9- 標準SMILES
CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O- InChIKey
WZZVUHWLNMNWLW-VFCSDQTKSA-N- 分子式
- C24H41N3O16
- 平均分子量
- 627.6 g/mol
- 単同位体質量
- 627.24868223
概要
Beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc is a linear amino trisaccharide consisting of three N-acetyl-beta-D-glucosamine residues linked (14). It has a role as an epitope.
名称と識別子
- 優先名称
- O-2-(Acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose
- IUPAC
- N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
- 現地名
- キチン
- 英語名
- Chitin
- 分子式
- C6H11NO4X2
- 分子量
- 161.16
名称と別名
名称をさらに表示
データベース識別子
- CAS
13319-32-9、1398-61-4- PubChem CID
- 444514
- DTXSID
DTXSID801100881- ChEMBL
CHEMBL1222017- ChEBI
CHEBI:71404- UNII
- ALA7M3MVL3
- Nikkaji
- J419.926J
物性
構造計算による物性
- XLogP
- -6.9
- 極性表面積
- 295 Ų
- 水素結合供与体数
- 11
- 水素結合受容体数
- 16
- 回転可能結合数
- 10
- 重原子数
- 43
- 形式電荷
- 0
- 複雑度
- 962
実験および物理化学的性質
物理化学的性質
- 融点
- 300 °C · >300°C (dec.)
- 沸点
- 737.18 °C · 737.18°C (rough estimate)
- 比重(密度)
- 1.3744 · 1.3744 (rough estimate)
- 屈折率
- 1.6 · 1.6000 (estimate)
- 貯蔵温度
- Room Temp
- 溶解性
- 希酸水溶液 (pH <6.5): 可溶
- 外見
- 精製粉末
- 色
- 白い
- 由来生物
- shrimp shells
- 水溶解度
- 不溶性
- Merck
- 14 · 14,2065
- 安定性
- 安定。強力な酸化剤とは相容れない。
- 化粧品成分の機能
- 増量剤研磨剤
- InChI
- 1S/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-/m1/s1
- InChIKey
- OVRNDRQMDRJTHS-WTZNIHQSSA-N
- SMILES
- CC(=O)N[C@@H]1[C@H](O)O[C@@H](CO)[C@H](O)[C@H]1O
- LogP
- -2.64 · -2.640 (est)
- EPAの化学物質情報
- Chitin (1398-61-4)
化学的性質
化学的特性Chitin is a colorless, crystalline or amorphous powder that is insoluble in water, organic solvents, dilute acids, and alkalis. It dissolves in concentrated mineral acids with simultaneous degradation of the polymer. Although chitosan is insoluble in water, it does dissolve in aqueous organic acids, for example, acetic and formic acids, as well as inorganic acids. Chitin and chitosan preparation can vary due to the source, with compositional differences. Similarly, the physicochemical characteristics of chitin and chitosan differ between crustacean species and preparation methods. Several studies have clearly demonstrated the specific characteristics of these products. The Mw and degree of deacetylation (DD) vary with process conditions. The physicochemical characteristics of chitin and chitosan influence their functional properties. Mw and DD vary with process conditions or different extraction methods. Chitosan's application depends on physical, biological, and chemical properties and chitosan depends on two parameters, such as DD and Mw.
化学性质N-アセチルグルコサミンがβ-1,4結合で連なったポリマー
安全と法規制
安全データ
- F
- 3
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- FM6300000
- hs_code
- 32139000
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xi,Xn
- safety_code
- 24/25-36-26
- ストレージクラス
- 11 - Combustible Solids
- 有毒物質データの
- 1398-61-4(Hazardous Substances Data)
毒性と防護
毒性LD50 50 mg/kg(ラット,静脈).
化学と産業
薬理情報
応用分野
解説キチン,白色の無定形物質.平均重合度850.[α]D"-14→+56°(濃塩酸,加水分解で変化).水,希アルカリに不溶.濃アルカリと加熱すると脱N-アセチルと分解が起こり,キトサンになる.濃厚無機酸,無水ギ酸などにつけておくと可溶化し,その際,部分分解する.キチナーゼで分解し,N-アセチルグルコサミンを生成する.森北出版「化学辞典(第2版)
用途各種凝集剤
用途酵素・抗体の固定化担体、抗腫瘍活性剤、抗血栓性膜の調製。
説明Chitin is the most abundant natural amino polysaccharide. It has a similar annual yield as cellulose. Chitin is a kind of highly valuable material in biomedical applications because of its high biocompatibility, biodegradability and non-toxicity as well as its antimicrobial activity and low immunogenicity. It can be easily processed into gels, membrane, nanofibers, beads, nanoparticle, scaffold and sponges, enables its wide applications. In the tissue engineering, it can be used for manufacturing polymer scaffold to satisfy the demands of repairing, replacing, maintaining, or enhancing the function of a particular tissue or organ. In wound dressing, chitin can be used as antimicrobial reagent. In the field of drug delivery, the water-soluble carboxymethyl chitin (CMC) nanoparticle can be used as an effective carrier in drug delivery.
使用chitin (chitine) is a moisture retainer and film-forming agent. This is a naturally occurring polysaccharide found in the shells of crustaceans, such as shrimp and crab, as well as in some fungi and algae. It is also a naturally occuring fibre found in the shells of shellfish. Used for the analysis of chitinase. lysozyme substrate.
調製方法
合成方法甲殻類の殻から抽出
上流・下流製品情報
上流原料
下流製品
サプライヤー100 社
補足説明
定義本品は、海産の無脊椎動物の外骨格から得た多糖類である。主としてN-アセチルーD-グルコサミン基を含む。
定義ChEBI: Chitin is a polysaccharide comprisingchains of N-acetyl-d-glucosamine,a derivative of glucose. Chitin isstructurally very similar to celluloseand serves to strengthen the supportingstructures of various invertebrates. It is the second most abundant biopolymer on earth, found especially in insects and fungi.
関連反応
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…