Basic information
- CAS
16462-44-5- Standard 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- Molecular formula
- C12H22O11
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.11621151
Overview
Cellobiose is a glycosylglucose consisting of two glucose units linked via a beta(14) bond. It has a role as a plant metabolite.
Names & identifiers
- Preferred name
- 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
- English name
- Cellobiose
- Molecular formula
- C12H22O11
- Molecular weight
- 342.3
Names & synonyms
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-
Show more names
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
Database identifiers
- CAS
16462-44-5、528-50-7- PubChem CID
- 439178
- DTXSID
DTXSID001015527- ChEMBL
CHEMBL1231670
Properties
Computed structural properties
- XLogP
- -4.7
- Topological polar surface area
- 190 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 382
Experimental & physicochemical properties
Chemical ClassesBiological Agents -> Disaccharides
SpringerMaterials PropertiesCrystal structure
Physical DescriptionSolid; [Merck Index] White solid; [Acros Organics MSDS]
Physicochemical properties
- Boiling point
- 667.9 · 667.9±55.0 °C(Predicted)
- Density
- 1.76 · 1.76±0.1 g/cm3(Predicted)
- pka
- 12.02 · 12.02±0.70(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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.
Hazard information
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
Chemistry & industry
Uses & manufacturing
UsesA unit of cellulose and lichenin; Not naturally occurring; [Merck Index]
General Manufacturing InformationD-Glucose, 4-O-.beta.-D-glucopyranosyl-: ACTIVE
Suppliers2 total
A.J Chemicals[email protected]
Additional notes
DefinitionChEBI: Cellobiose is a glycosylglucose consisting of two glucose units linked via a beta(1->4) bond. It has a role as a plant metabolite.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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