chempirical

Chitobiose

C12H24N2O9CAS 577-76-4340.33 g/mol

Open in Covalent MOL file
NH2OHONH2OOHOHOHOHOHO
AcetalAlcoholAldehydeEtherPrimary amine

Properties

Molecular formula
C12H24N2O9
Molar mass
340.33 g/mol
Exact mass
340.1482 Da
logP
-5.62Crippen estimate
Polar surface area
208.9 Ų
H-bond donors / acceptors
8 / 11
Rotatable bonds
8
Stereocentres
R, S, S, R, R, R, R, S, 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
577-76-4
SMILES
N[C@H]1[C@H](O[C@@H]([C@H](O)[C@@H](N)C=O)[C@H](O)CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIKey
VUALREFPJJODHZ-JTCHKQLLSA-N
InChI
InChI=1S/C12H24N2O9/c13-4(1-15)8(19)11(5(18)2-16)23-12-7(14)10(21)9(20)6(3-17)22-12/h1,4-12,16-21H,2-3,13-14H2/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

3 names
  • D-Glucose, 2-amino-4-O-(2-amino-2-deoxy-β-D-glucopyranosyl)-2-deoxy-
  • 2-Amino-4-O-(2-amino-2-deoxy-β-D-glucopyranosyl)-2-deoxy-D-glucose
  • 4-O-(2-Amino-2-deoxy-β-D-glucosyl)-D-glucosamine

Work with Chitobiose

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

Similar compounds

Chitotriose41708-93-493 % similar Cellobiose528-50-759 % similar Lactose63-42-359 % similar Maltose69-79-459 % similar Glucosamine3416-24-856 % similar Maltotriose1109-28-056 % similar Maltotetraose34612-38-956 % similar Maltopentaose34620-76-356 % similar

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

Same formula

Chitosan oligosaccharide lactate148411-57-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook