1,2:3,5-Di-O-isopropylidene-alpha-D-xylofuranose

C11H18O5CAS 20881-04-3230.26 g/mol

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AcetalEther

Properties

Molecular formula
C11H18O5
Molar mass
230.26 g/mol
Exact mass
230.1154 Da
logP
1.01Crippen estimate
Polar surface area
46.2 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
0
Stereocentres
R, 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
20881-04-3
SMILES
CC1(OC[C@@H]2[C@H](O1)[C@@H]3[C@H](O2)OC(O3)(C)C)C
InChIKey
NKZDPBSWYPINNF-BZNPZCIMSA-N
InChI
InChI=1S/C11H18O5/c1-10(2)12-5-6-7(14-10)8-9(13-6)16-11(3,4)15-8/h6-9H,5H2,1-4H3/t6-,7+,8-,9-/m1/s1

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Work with 1,2:3,5-Di-O-isopropylidene-alpha-D-xylofuranose

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

1,2:5,6-Bis-O-(1-methylethylidene)-α-D-gulofuranose14686-89-661 % similar 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-allofuranose2595-05-361 % similar Diacetone-D-glucose582-52-561 % similar 1,2:3,4-Di-O-isopropylidene-α-D-galactopyranose4064-06-661 % similar 3-O-Acetyl-1,2:5,6-di-O-isopropylidene-α-D-glucofuranose16713-80-756 % similar 1,2:5,6-Bis-O-(1-methylethylidene)-3-O-(phenylmethyl)-α-D-glucofuranose18685-18-252 % similar Diaceton-alpha-D-mannofuranose14131-84-151 % similar 1,2-O-Isopropylidene-A-L-xylofuranose114861-22-249 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,4-Diethyl 2-(2-oxopropyl)butanedioate1187-74-2 Diethyl α-acetylglutarate1501-06-0 Diethyl γ-ketopimelate6317-49-3

Elsewhere

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