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.

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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 Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoate95058-92-733 % similar 2,3-O-Isopropylidene-D-ribonolactone30725-00-933 % 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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