chempirical

4,6-O-Ethylidene-α-D-glucopyranose

C8H14O6CAS 13224-99-2206.19 g/mol

Open in Covalent MOL file
OOOHOHHOO
AcetalAlcoholEther

Properties

Molecular formula
C8H14O6
Molar mass
206.19 g/mol
Exact mass
206.0790 Da
Melting point
179–182 °C
logP
-1.81Crippen estimate
Polar surface area
88.4 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
0
Stereocentres
R, S, R, R, Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 5 ECHA notifiers. Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
13224-99-2
SMILES
CC1OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O1
InChIKey
VZPBLPQAMPVTFO-NKWOADHPSA-N
InChI
InChI=1S/C8H14O6/c1-3-12-2-4-7(13-3)5(9)6(10)8(11)14-4/h3-11H,2H2,1H3/t3?,4-,5-,6-,7-,8+/m1/s1

Weigh it out

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

Names and synonyms

8 names
  • α-D-Glucopyranose, 4,6-O-ethylidene-
  • Glucopyranose, 4,6-O-ethylidene-, α-D-
  • Pyrano[3,2-d]-1,3-dioxin, α-D-glucopyranose deriv.
  • Ethylidene glucose
  • 4,6-O-Ethylidene α-D-glucopyranose
  • 4,6-O-Ethylidene-α-D-glucose
  • NSC 89726
  • 4,6-O-Ethylidene-alpha-D-glucopyranose

Work with 4,6-O-Ethylidene-α-D-glucopyranose

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

Glycogen9005-79-249 % similar α-D-Lactose14641-93-141 % similar β-Lactose5965-66-241 % similar Dextrin9004-53-941 % similar Amylodextrin9005-84-941 % similar Cellulase9012-54-841 % similar β-D-Glucan9041-22-941 % similar D-Galactopyranose10257-28-040 % similar

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

Same formula

Diisopropyl peroxydicarbonate105-64-6 (-)-Diethyl tartrate13811-71-7 Dipropyl peroxydicarbonate16066-38-9 Diethyl tartrate87-91-2

Elsewhere

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