chempirical

Cellobiose

C12H22O11CAS 528-50-7342.30 g/mol

Open in Covalent MOL file
OHOOHOOOHOHOHHOHOHO
AcetalAlcoholAldehydeEther

Properties

Molecular formula
C12H22O11
Molar mass
342.30 g/mol
Exact mass
342.1162 Da
Melting point
240 °C
logP
-5.55Crippen estimate
Polar surface area
197.4 Ų
H-bond donors / acceptors
8 / 11
Rotatable bonds
8
Stereocentres
R, R, R, S, R, S, S, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
528-50-7
SMILES
O=C[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO
InChIKey
DKXNBNKWCZZMJT-WELRSGGNSA-N
InChI
InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h1,4-12,14-21H,2-3H2/t4-,5+,6+,7+,8+,9-,10+,11+,12-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • D-Glucose, 4-O-β-D-glucopyranosyl-
  • 4-O-β-D-Glucopyranosyl-D-glucose
  • 4-β-D-Glucopyranosyl-D-glucopyranose
  • Cellose
  • D-Cellobiose
  • D-(+)-Cellobiose
  • Cellobiose 90
  • Sun cellobio K

Reactions

Work with Cellobiose

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

D-(+)-Lactose monohydrate64044-51-5Hydrate, diastereomer Maltose monohydrate6363-53-7Hydrate, diastereomer Lactose63-42-3Diastereomer Maltose69-79-4Diastereomer

Similar compounds

Maltotriose1109-28-093 % similar Maltotetraose34612-38-993 % similar Maltopentaose34620-76-393 % similar Maltohexaose34620-77-493 % similar Maltoheptaose34620-78-593 % similar Lactitol585-86-469 % similar Maltitol585-88-669 % similar Melibiose585-99-967 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Isomaltulose13718-94-0 α-D-Lactose14641-93-1 Lactulose4618-18-2 Isomaltose499-40-1 Turanose547-25-1 Gentiobiose554-91-6 Sucrose57-50-1 6-O-α-D-Glucopyranosyl-α-D-fructofuranose58166-27-1

Elsewhere

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