1,2:4,5-Di-O-isopropylidene-beta-D-fructopyranose

C12H20O6CAS 25018-67-1260.29 g/mol

Open in Covalent MOL file
OOOOOHO
AcetalAlcoholEther

Properties

Molecular formula
C12H20O6
Molar mass
260.29 g/mol
Exact mass
260.1260 Da
logP
0.38Crippen estimate
Polar surface area
66.4 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
0
Stereocentres
S, S, 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
25018-67-1
SMILES
CC1(OC[C@]2(O1)[C@H]([C@H]3[C@@H](CO2)OC(O3)(C)C)O)C
InChIKey
NFHXOQDPQIQPKT-XBWDGYHZSA-N
InChI
InChI=1S/C12H20O6/c1-10(2)15-6-12(18-10)9(13)8-7(5-14-12)16-11(3,4)17-8/h7-9,13H,5-6H2,1-4H3/t7-,8-,9+,12+/m1/s1

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Work with 1,2:4,5-Di-O-isopropylidene-beta-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 chlorosulfate150609-95-345 % similar Topiramate97240-79-445 % similar Diacetone-D-glucose582-52-544 % similar 1,2:5,6-Di-O-isopropylidene-D-mannitol1707-77-341 % similar 1,2:4,5-Di-O-isopropylidene-beta-D-erythro-2,3-hexodiulo-2,6-pyranose18422-53-240 % similar 1,2:3,5-Di-O-isopropylidene-alpha-D-xylofuranose20881-04-337 % similar (4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethanol50622-09-834 % similar (4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethanol73346-74-434 % 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 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

Elsewhere

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