chempirical

Chitosan oligosaccharide lactate

C12H24N2O9CAS 148411-57-8340.33 g/mol

Open in Covalent MOL file
OOOOHH2NHOOHNH2OHOHOH
AcetalAlcoholEtherPrimary amine

Properties

Molecular formula
C12H24N2O9
Molar mass
340.33 g/mol
Exact mass
340.1482 Da
logP
-5.46Crippen estimate
Polar surface area
201.1 Ų
H-bond donors / acceptors
8 / 11
Rotatable bonds
4
Stereocentres
R, S, R, R, S, S, R, R, R, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
148411-57-8
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)N)O)CO)N)O)O)O
InChIKey
QLTSDROPCWIKKY-PMCTYKHCSA-N
InChI
InChI=1S/C12H24N2O9/c13-5-9(19)10(4(2-16)21-11(5)20)23-12-6(14)8(18)7(17)3(1-15)22-12/h3-12,15-20H,1-2,13-14H2/t3-,4-,5-,6-,7-,8-,9-,10-,11-,12+/m1/s1

Weigh it out

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Names and synonyms

4 names
  • Chitosan, 2-hydroxypropanoate (ester)
  • Chitosan lactate (ester)
  • Chitosan lactate
  • 2-Amino-4-O-(2-amino-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-beta-D-glucopyranose

Work with Chitosan oligosaccharide lactate

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

α-D-Lactose14641-93-160 % similar β-Lactose5965-66-260 % similar Dextrin9004-53-960 % similar Amylodextrin9005-84-960 % similar Cellulase9012-54-860 % similar β-D-Glucan9041-22-960 % similar Chitotriose41708-93-459 % similar Lactose, monohydrate10039-26-656 % similar

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

Same formula

Chitobiose577-76-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook