chempirical

1,2-O-Cyclohexylidene-alpha-D-glucofuranose

C12H20O6CAS 16832-21-6260.29 g/mol

Open in Covalent MOL file
OOOOHOHOH
AcetalAlcoholEther

Properties

Molecular formula
C12H20O6
Molar mass
260.29 g/mol
Exact mass
260.1260 Da
logP
-0.50Crippen estimate
Polar surface area
88.4 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
2
Stereocentres
R, S, R, 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
16832-21-6
SMILES
C1CCC2(CC1)O[C@@H]3[C@H]([C@H](O[C@@H]3O2)[C@@H](CO)O)O
InChIKey
KAUCUKASFLXURN-RCZSTQMZSA-N
InChI
InChI=1S/C12H20O6/c13-6-7(14)9-8(15)10-11(16-9)18-12(17-10)4-2-1-3-5-12/h7-11,13-15H,1-6H2/t7-,8+,9-,10-,11-/m1/s1

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Names and synonyms

1 names
  • 1,2-O-Cyclohexane-1,1-diyl-alpha-D-xylo-hexofuranose

Work with 1,2-O-Cyclohexylidene-alpha-D-glucofuranose

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

1,2-O-Isopropylidene-α-D-glucofuranose18549-40-164 % similar Chloralose15879-93-348 % similar Lactitol585-86-448 % similar Maltitol585-88-648 % similar Lactitol monohydrate81025-04-944 % similar 3,4-O-Isopropylidene-D-mannitol3969-84-441 % similar 1,2-O-Isopropylidene-A-L-xylofuranose114861-22-241 % similar 1,2-O-Isopropylidene-α-D-xylofuranose20031-21-441 % similar

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

Same formula

Triglycidylglycerol13236-02-7 Tripropionin139-45-7 Diaceton-alpha-D-mannofuranose14131-84-1 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-gulofuranose14686-89-6 Diacetone L-sorbose17682-70-1 2,3:4,5-Di-O-isopropylidene-β-D-fructopyranose20880-92-6 1,2:4,5-Di-O-isopropylidene-beta-D-fructopyranose25018-67-1 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-allofuranose2595-05-3

Elsewhere

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