基本情報
- CAS
16462-44-5- 標準SMILES
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
GUBGYTABKSRVRQ-CUHNMECISA-N- 分子式
- C12H22O11
- 平均分子量
- 342.3 g/mol
- 単同位体質量
- 342.11621151
概要
Cellobiose is a glycosylglucose consisting of two glucose units linked via a beta(14) bond. It has a role as a plant metabolite.
名称と識別子
- 優先名称
- Cellobiose
- IUPAC
- (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
- 英語名
- Cellobiose
- 分子式
- C12H22O11
- 分子量
- 342.3
名称と別名
cellobioseD-(+)-Cellobiose528-50-7CelloseD-Glucosyl-beta-(1-4)-D-glucose4-beta-D-glucopyranosyl-D-glucopyranose1-beta-D-Glucopyranosyl-4-D-glucopyranoseCHEBI:170574-O-beta-D-Glucopyranosyl-D-glucose4-(beta-D-Glucosido)-D-glucoseGlyTouCan:G12460QSD-Glucose, 4-O-beta-D-glucopyranosyl-
名称をさらに表示
D-Glucopyranose, 4-O-β-D-glucopyranosyl-
D-Glucopyranose, 4-O-beta-D-glucopyranosyl-(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triolBM3MOX055HDTXSID3045984(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-((2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl)oxyoxane-3,4,5-triol4 O beta D Glucopyranosyl D glucopyranoseRefChem:1304762-(hydroxymethyl)-6-(4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl)oxyoxane-3,4,5-triol
データベース識別子
- CAS
16462-44-5、528-50-7- PubChem CID
- 439178
- DTXSID
DTXSID001015527- ChEMBL
CHEMBL1231670- ChEBI
物性
構造計算による物性
- XLogP
- -4.7
- 極性表面積
- 190 Ų
- 水素結合供与体数
- 8
- 水素結合受容体数
- 11
- 回転可能結合数
- 4
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 382
実験および物理化学的性質
Chemical ClassesBiological Agents -> Disaccharides
SpringerMaterials PropertiesCrystal structure
Physical DescriptionSolid; [Merck Index] White solid; [Acros Organics MSDS]
物理化学的性質
- 沸点
- 667.9 · 667.9±55.0 °C(Predicted)
- 比重(密度)
- 1.76 · 1.76±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 12.02 · 12.02±0.70(Predicted)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (7 of 7) of all reports.
Not Classified
Aggregated GHS information provided per 7 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: D-Glucose, 4-O-.beta.-D-glucopyranosyl-
REACH registered substance: D-cellobiose (EC: 208-436-5)
D-Glucose, 4-O-.beta.-D-glucopyranosyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - D-Glucose, 4-O-.beta.-D-glucopyranosyl-: Human health tier I assessment
Hazards SummaryMay cause eye and respiratory tract irritation; [Acros Organics MSDS] See Cellulose and Sucrose.
Hazard Classes and CategoriesNot Classified
化学と産業
用途と製造
UsesA unit of cellulose and lichenin; Not naturally occurring; [Merck Index]
General Manufacturing InformationD-Glucose, 4-O-.beta.-D-glucopyranosyl-: ACTIVE
サプライヤー2 社
A.J Chemicals[email protected]
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