Xylotriose

C15H26O13CAS 47592-59-6414.36 g/mol

Open in Covalent MOL file
OOOOHHOOOOHOHOHOHOHOH
AcetalAlcoholEther

Properties

Molecular formula
C15H26O13
Molar mass
414.36 g/mol
Exact mass
414.1373 Da
logP
-5.66Crippen estimate
Polar surface area
208.0 Ų
H-bond donors / acceptors
8 / 13
Rotatable bonds
4
Stereocentres
R, S, R, S, R, S, R, R, R, R, Rin SMILES atom order

Hazards

Not classified as hazardous under GHS by 104 ECHA notifiers. Aggregated from 104 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
47592-59-6
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@@H]3COC([C@@H]([C@H]3O)O)O)O)O)O
InChIKey
JCSJTDYCNQHPRJ-FDVJSPBESA-N
InChI
InChI=1S/C15H26O13/c16-4-1-25-14(11(21)7(4)17)28-6-3-26-15(12(22)9(6)19)27-5-2-24-13(23)10(20)8(5)18/h4-23H,1-3H2/t4-,5-,6-,7+,8+,9+,10-,11-,12-,13?,14+,15+/m1/s1

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Work with Xylotriose

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

D-Arabinopyranose28697-53-266 % similar α-D-Xylopyranose31178-70-866 % similar Alpha-D-Xylopyranose6763-34-466 % similar β-L-Arabinopyranose7296-56-266 % similar L-Arabinopyranose87-72-966 % similar Levoglucosan498-07-763 % similar Isomaltitol534-73-659 % similar Isomalt64519-82-059 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook