Diacetone-D-glucose

C12H20O6CAS 582-52-5260.29 g/mol

Open in Covalent MOL file
OOOOOHO
AcetalAlcoholEther

Properties

Molecular formula
C12H20O6
Molar mass
260.29 g/mol
Exact mass
260.1260 Da
Melting point
110–111 °C
Boiling point
156–160 °C (at 0.05 Torr)
logP
0.38Crippen estimate
Polar surface area
66.4 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
1
Stereocentres
R, S, R, S, Rin SMILES atom order

Hazards

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

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Identifiers

CAS number
582-52-5
SMILES
CC1(C)O[C@H]2O[C@H]([C@H]3COC(C)(C)O3)[C@H](O)[C@H]2O1
InChIKey
KEJGAYKWRDILTF-JDDHQFAOSA-N
InChI
InChI=1S/C12H20O6/c1-11(2)14-5-6(16-11)8-7(13)9-10(15-8)18-12(3,4)17-9/h6-10,13H,5H2,1-4H3/t6-,7+,8-,9-,10-/m1/s1

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Names and synonyms

15 names · show all
  • α-D-Glucofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-
  • Glucofuranose, 1,2:5,6-di-O-isopropylidene-, α-D-
  • Furo[2,3-d]-1,3-dioxole, α-D-glucofuranose deriv.
  • 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-glucofuranose
  • 1,2:5,6-Di-O-isopropylidene-α-D-glucose
  • 1,2:5,6-Di-O-isopropylidene-α-D-glucofuranose
  • 1,2:5,6-Diisopropylidene-α-D-glucofuranose
  • Diacetone glucose
  • 1,2:5,6-Di-O-isopropylidene-D-glucose
  • (-)-1,2:5,6-Di-O-isopropylidene-α-D-glucofuranose
  • Glucose bisacetonide
  • NSC 1223
  • Glucose diacetonide
  • D-Glucose diacetonide
  • 1,2:5,6-Di-O-isopropylidene-D-glucofuranose

Work with Diacetone-D-glucose

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.

1,2:5,6-Bis-O-(1-methylethylidene)-α-D-allofuranose2595-05-3Diastereomer 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-gulofuranose14686-89-6Diastereomer

Similar compounds

1,2:3,5-Di-O-isopropylidene-alpha-D-xylofuranose20881-04-361 % similar 3-O-Acetyl-1,2:5,6-di-O-isopropylidene-α-D-glucofuranose16713-80-759 % similar 1,2:5,6-Di-O-isopropylidene-D-mannitol1707-77-359 % similar 1,2-O-Isopropylidene-α-D-glucofuranose18549-40-157 % similar 1,2-O-Isopropylidene-A-L-xylofuranose114861-22-256 % similar 1,2-O-Isopropylidene-α-D-xylofuranose20031-21-456 % similar 1,2:5,6-Bis-O-(1-methylethylidene)-3-O-(phenylmethyl)-α-D-glucofuranose18685-18-252 % similar 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-ribo-hexofuranos-3-ulose2847-00-944 % 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-O-Cyclohexylidene-alpha-D-glucofuranose16832-21-6 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

Elsewhere

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