chempirical

1,2:4,5-Di-O-isopropylidene-beta-D-erythro-2,3-hexodiulo-2,6-pyranose

C12H18O6CAS 18422-53-2258.27 g/mol

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AcetalEtherKetone

Properties

Molecular formula
C12H18O6
Molar mass
258.27 g/mol
Exact mass
258.1103 Da
logP
0.58Crippen estimate
Polar surface area
63.2 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
0
Stereocentres
S, R, 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
18422-53-2
SMILES
CC1(OC[C@]2(O1)C(=O)[C@H]3[C@@H](CO2)OC(O3)(C)C)C
InChIKey
IVWWFWFVSWOTLP-RWYTXXIDSA-N
InChI
InChI=1S/C12H18O6/c1-10(2)15-6-12(18-10)9(13)8-7(5-14-12)16-11(3,4)17-8/h7-8H,5-6H2,1-4H3/t7-,8-,12+/m1/s1

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Names and synonyms

1 names
  • D-Epoxone

Work with 1,2:4,5-Di-O-isopropylidene-beta-D-erythro-2,3-hexodiulo-2,6-pyranose

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

1,2:4,5-Di-O-isopropylidene-beta-D-fructopyranose25018-67-140 % similar (+)-5,6-O-Isopropylidene-L-ascorbic acid15042-01-038 % similar 3-O-Acetyl-1,2:5,6-di-O-isopropylidene-α-D-glucofuranose16713-80-733 % similar 1,2:5,6-Di-O-isopropylidene-D-mannitol1707-77-333 % similar 4,5-Dimethyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate37031-29-133 % similar 4,5-Dimethyl (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate37031-30-433 % similar 2,3-O-Isopropylidene-D-ribonolactone30725-00-933 % similar Topiramate97240-79-432 % similar

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

Same formula

1,2:5,6-Bis-O-(1-methylethylidene)-α-D-ribo-hexofuranos-3-ulose2847-00-9

Elsewhere

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