chempirical

Chitotriose

C18H35N3O13CAS 41708-93-4501.49 g/mol

Open in Covalent MOL file
NH2OOHNH2OHONH2OOHOHOOHOHOHOHO
AcetalAlcoholAldehydeEtherPrimary amine

Properties

Molecular formula
C18H35N3O13
Molar mass
501.49 g/mol
Exact mass
501.2170 Da
logP
-7.83Crippen estimate
Polar surface area
293.9 Ų
H-bond donors / acceptors
11 / 16
Rotatable bonds
11
Stereocentres
R, S, S, R, R, S, S, R, 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
41708-93-4
SMILES
N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](N)[C@H](O[C@@H]([C@H](O)[C@@H](N)C=O)[C@H](O)CO)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIKey
HBAVVSYNWHLVDB-UDAFUQIYSA-N
InChI
InChI=1S/C18H35N3O13/c19-5(1-22)11(27)15(6(26)2-23)33-18-10(21)14(30)16(8(4-25)32-18)34-17-9(20)13(29)12(28)7(3-24)31-17/h1,5-18,23-30H,2-4,19-21H2/t5-,6+,7+,8+,9+,10+,11+,12+,13+,14+,15+,16+,17-,18-/m0/s1

Weigh it out

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

Names and synonyms

2 names
  • D-Glucose, O-2-amino-2-deoxy-β-D-glucopyranosyl-(1→4)-O-2-amino-2-deoxy-β-D-glucopyranosyl-(1→4)-2-amino-2-deoxy-
  • O-2-Amino-2-deoxy-β-D-glucopyranosyl-(1→4)-O-2-amino-2-deoxy-β-D-glucopyranosyl-(1→4)-2-amino-2-deoxy-D-glucose

Work with Chitotriose

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

Chitobiose577-76-493 % similar Chitosan oligosaccharide lactate148411-57-859 % similar Maltotriose1109-28-058 % similar Maltotetraose34612-38-958 % similar Maltopentaose34620-76-358 % similar Maltohexaose34620-77-458 % similar Maltoheptaose34620-78-558 % similar Cellobiose528-50-756 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook