chempirical

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. Search the SDS library

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

Weigh it out

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

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

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 3,4-O-Isopropylidene-D-mannitol3969-84-434 % 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

PubChem CAS Common Chemistry NIST WebBook