chempirical

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

C11H18O5CAS 20881-04-3230.26 g/mol

Open in Covalent MOL file
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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. Search the SDS library

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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