chempirical

β-D-Glucan

C18H32O16CAS 9041-22-9504.44 g/mol

Open in Covalent MOL file
OOOOHOHOOOHHOHOHOOHHOOHOHOH
AcetalAlcoholEther

Properties

Molecular formula
C18H32O16
Molar mass
504.44 g/mol
Exact mass
504.1690 Da
logP
-7.57Crippen estimate
Polar surface area
268.7 Ų
H-bond donors / acceptors
11 / 16
Rotatable bonds
7
Stereocentres
R, S, S, R, S, R, S, R, 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
9041-22-9
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O
InChI
InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14?,15?,16+,17+,18+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

26 names · show all
  • β-Glucan
  • β-Glucosylglucan
  • Epiglucan
  • Biopoly P 3
  • GluCare N
  • Borigasol
  • Drago-beta-glucan
  • Energy plus
  • Beta king
  • Nutrim
  • Betamune
  • Beta-Glucosylglucan
  • Beta-Glucan
  • Barliv
  • ProVale
  • C-Trim 20
  • C-Trim 30
  • C-Trim 50
  • Nutrim 10
  • Yestimun
  • Betaglucare
  • Ganodex
  • β-Glucans
  • Beta-glucans
  • Glucans, β-
  • Lyckeby beta-glucan fiber DF 25

Work with β-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Dextrin9004-53-9Diastereomer Cellulase9012-54-8Stereoisomer

Similar compounds

α-D-Lactose14641-93-1100 % similar β-Lactose5965-66-2100 % similar Amylodextrin9005-84-9100 % similar Lactose, monohydrate10039-26-691 % similar α-Lactose monohydrate5989-81-191 % similar Glycogen9005-79-283 % similar α-Cyclodextrin10016-20-373 % similar Gamma-cyclodextrin17465-86-073 % similar

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

Same formula

Maltotriose1109-28-0 Manninotriose13382-86-0 Kestose470-69-9 Raffinose512-69-6 Melezitose597-12-6 Laminarin9008-22-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook