chempirical

Manninotriose

C18H32O16CAS 13382-86-0504.44 g/mol

Open in Covalent MOL file
OOHHOHOHOOOOOOHOHOHOHOHOHHO
AcetalAlcoholAldehydeEther

Properties

Molecular formula
C18H32O16
Molar mass
504.44 g/mol
Exact mass
504.1690 Da
logP
-7.73Crippen estimate
Polar surface area
276.5 Ų
H-bond donors / acceptors
11 / 16
Rotatable bonds
11
Stereocentres
R, S, R, R, S, R, S, R, R, S, 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
13382-86-0
SMILES
O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChIKey
FZWBNHMXJMCXLU-YRBKNLIBSA-N
InChI
InChI=1S/C18H32O16/c19-1-5(21)9(23)10(24)6(22)3-31-17-16(30)14(28)12(26)8(34-17)4-32-18-15(29)13(27)11(25)7(2-20)33-18/h1,5-18,20-30H,2-4H2/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-α-D-galactopyranosyl-(1→6)-O-α-D-galactopyranosyl-(1→6)-
  • O-α-D-Galactopyranosyl-(1→6)-O-α-D-galactopyranosyl-(1→6)-D-glucose

Work with Manninotriose

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

Isomaltose499-40-195 % similar Gentiobiose554-91-695 % similar Melibiose585-99-995 % similar Xylopentaose49694-20-493 % similar Xylobiose6860-47-585 % similar Isomaltitol534-73-667 % similar Isomalt64519-82-067 % similar Cellobiose528-50-764 % similar

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

Same formula

Maltotriose1109-28-0 Kestose470-69-9 Raffinose512-69-6 Melezitose597-12-6 Dextrin9004-53-9 Laminarin9008-22-4 Cellulase9012-54-8 β-D-Glucan9041-22-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook