2,3:4,5-Di-O-isopropylidene-β-D-fructopyranose

C12H20O6CAS 20880-92-6260.29 g/mol

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AcetalAlcoholEther

Properties

Molecular formula
C12H20O6
Molar mass
260.29 g/mol
Exact mass
260.1260 Da
Melting point
119 °C
logP
0.38Crippen estimate
Polar surface area
66.4 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
1
Stereocentres
R, R, S, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
20880-92-6
SMILES
CC1(C)O[C@@H]2[C@@H](CO[C@@]3(CO)OC(C)(C)O[C@@H]23)O1
InChIKey
PSSHGMIAIUYOJF-XBWDGYHZSA-N
InChI
InChI=1S/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8-,9+,12+/m1/s1

Weigh it out

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Names and synonyms

6 names
  • β-D-Fructopyranose, 2,3:4,5-bis-O-(1-methylethylidene)-
  • Fructopyranose, 2,3:4,5-di-O-isopropylidene-, β-D-
  • 5H-Bis[1,3]dioxolo[4,5-b:4′,5′-d]pyran, β-D-fructopyranose deriv.
  • 2,3:4,5-Bis-O-(1-methylethylidene)-β-D-fructopyranose
  • NSC 407023
  • D-Fructopyranose diacetonide

Work with 2,3:4,5-Di-O-isopropylidene-β-D-fructopyranose

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

Diacetonefructose chlorosulfate150609-95-357 % similar Topiramate97240-79-457 % similar Diacetone-D-glucose582-52-541 % similar (4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethanol50622-09-838 % similar (4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethanol73346-74-438 % similar 1,2:5,6-Di-O-isopropylidene-D-mannitol1707-77-338 % similar 1,2:3,5-Di-O-isopropylidene-alpha-D-xylofuranose20881-04-337 % similar 4,5-Desisopropylidene topiramate106881-41-835 % 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 1,2-O-Cyclohexylidene-alpha-D-glucofuranose16832-21-6 Diacetone L-sorbose17682-70-1 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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