chempirical

Diacetone L-sorbose

C12H20O6CAS 17682-70-1260.29 g/mol

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AcetalAlcoholEther

Properties

Molecular formula
C12H20O6
Molar mass
260.29 g/mol
Exact mass
260.1260 Da
Melting point
77–78 °C
Boiling point
130–135 °C (at NaN Torr)
logP
0.38Crippen estimate
Polar surface area
66.4 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
1
Stereocentres
S, S, S, Rin SMILES atom order

Identifiers

CAS number
17682-70-1
SMILES
CC1(C)OC[C@@H]2O[C@@]3(CO)OC(C)(C)O[C@H]3[C@@H]2O1
InChIKey
GQXSDDHYUVYJCQ-NHRVJRKFSA-N
InChI
InChI=1S/C12H20O6/c1-10(2)14-5-7-8(16-10)9-12(6-13,15-7)18-11(3,4)17-9/h7-9,13H,5-6H2,1-4H3/t7-,8+,9-,12-/m0/s1

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

Names and synonyms

10 names
  • Sorbose diacetonide
  • α-L-Sorbofuranose, 2,3:4,6-bis-O-(1-methylethylidene)-
  • Sorbofuranose, 2,3:4,6-di-O-isopropylidene-, α-L-
  • 7H-1,3-Dioxolo[4,5]furo[3,2-d][1,3]dioxin, α-L-sorbofuranose deriv.
  • 2,3:4,6-Bis-O-(1-methylethylidene)-α-L-sorbofuranose
  • 2,3:4,6-Di-O-isopropylidene-α-L-sorbofuranose
  • 2,3:4,6-Di-O-isopropylidene-L-sorbose
  • Diacetone sorbose
  • Di-O-Isopropylidene-L-sorbose
  • NSC 23815

Work with Diacetone L-sorbose

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

Topiramate97240-79-448 % similar 1,2:5,6-Di-O-isopropylidene-D-mannitol1707-77-341 % similar Solketal100-79-838 % similar (R)-Solketal14347-78-538 % similar (+)-Solketal22323-82-638 % similar 4,4-Dimethyl-3,5,8-trioxabicyclo[5.1.0]octane57280-22-535 % similar 3-O-Acetyl-1,2:5,6-di-O-isopropylidene-α-D-glucofuranose16713-80-734 % similar [2,2-Dimethyl-1,3-dioxan-5-yl)methanol4728-12-533 % similar

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

Same formula

Glycerol triglycidyl ether13236-02-7 Tripropionin139-45-7 Diaceton-alpha-D-mannofuranose14131-84-1 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-gulofuranose14686-89-6 2,3:4,5-Di-O-isopropylidene-β-D-fructopyranose20880-92-6 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-allofuranose2595-05-3 1,2:3,4-Di-O-isopropylidene-α-D-galactopyranose4064-06-6 Diacetone-D-glucose582-52-5

Elsewhere

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