chempirical

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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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
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

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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