chempirical

2,3,4,6-Tetra-O-acetyl-alpha-D-glucopyranosyl fluoride

C14H19FO9CAS 3934-29-0350.30 g/mol

Open in Covalent MOL file
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Alkyl halideEsterEther

Properties

Molecular formula
C14H19FO9
Molar mass
350.30 g/mol
Exact mass
350.1013 Da
logP
0.04Crippen estimate
Polar surface area
114.4 Ų
H-bond donors / acceptors
0 / 9
Rotatable bonds
5
Stereocentres
R, 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
3934-29-0
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)F)OC(=O)C)OC(=O)C)OC(=O)C
InChIKey
JJXATNWYELAACC-RGDJUOJXSA-N
InChI
InChI=1S/C14H19FO9/c1-6(16)20-5-10-11(21-7(2)17)12(22-8(3)18)13(14(15)24-10)23-9(4)19/h10-14H,5H2,1-4H3/t10-,11-,12+,13-,14+/m1/s1

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Work with 2,3,4,6-Tetra-O-acetyl-alpha-D-glucopyranosyl fluoride

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

((2R,3S,4S,5R)-3,4,5,6-Tetrakis(acetyloxy)oxan-2-yl)methyl acetate25878-60-868 % similar Penta-O-acetyl-α-D-galactopyranose4163-59-168 % similar β-D-Galactose pentaacetate4163-60-468 % similar α-D-Mannose pentaacetate4163-65-968 % similar Penta-O-acetyl-α-D-glucopyranose604-68-268 % similar β-D-Glucose pentaacetate604-69-368 % similar Glucose pentaacetate83-87-468 % similar α-Acetobromogalactose3068-32-466 % similar

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

Elsewhere

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