D-Glucan

C18H32O14CAS 9012-72-0472.44 g/mol

Open in Covalent MOL file
OOHOOOHOOOHOHOHOHOHHOOH
AcetalAlcoholEther

Properties

Molecular formula
C18H32O14
Molar mass
472.44 g/mol
Exact mass
472.1792 Da
Melting point
108–109 °C
logP
-5.86Crippen estimate
Polar surface area
228.2 Ų
H-bond donors / acceptors
9 / 14
Rotatable bonds
7
Stereocentres
S, R, S, R, S, R, R, S, R, R, S, R, Rin SMILES atom order

Hazards

Not classified as hazardous under GHS by 2 ECHA notifiers. Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
9012-72-0
SMILES
C1[C@@H]([C@H](O[C@H]([C@@H]1O)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](CO[C@@H]([C@H]3O)CO)O)CO)O)CO)O
InChIKey
SPMCUTIDVYCGCK-IIIGWGBSSA-N
InChI
InChI=1S/C18H32O14/c19-2-9-6(22)1-7(23)17(29-9)32-16-13(26)11(4-21)30-18(14(16)27)31-15-8(24)5-28-10(3-20)12(15)25/h6-27H,1-5H2/t6-,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

8 names
  • Glucosan
  • Polyglucan
  • Glucan
  • Polyglucosan
  • Poly-D-glucan
  • D-Glucosan
  • Fit fiber 80
  • Fit fiber 80P

Work with D-Glucan

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

Lactitol585-86-450 % similar Maltitol585-88-650 % similar Neoagarotetraose16033-31-149 % similar Neoagarooctaose25023-94-349 % similar Laminarin9008-22-449 % similar 1,5-Anhydroglucitol154-58-548 % similar Lactitol monohydrate81025-04-947 % similar Isomaltitol534-73-646 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook