chempirical

Diaceton-alpha-D-mannofuranose

C12H20O6CAS 14131-84-1260.29 g/mol

Open in Covalent MOL file
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AcetalAlcoholEther

Properties

Molecular formula
C12H20O6
Molar mass
260.29 g/mol
Exact mass
260.1260 Da
logP
0.38Crippen estimate
Polar surface area
66.4 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
1
Stereocentres
R, R, S, S, Sin SMILES atom order

Identifiers

CAS number
14131-84-1
SMILES
CC1(OC[C@@H](O1)[C@@H]2[C@H]3[C@@H]([C@H](O2)O)OC(O3)(C)C)C
InChIKey
JWWCLCNPTZHVLF-ZJDVBMNYSA-N
InChI
InChI=1S/C12H20O6/c1-11(2)14-5-6(16-11)7-8-9(10(13)15-7)18-12(3,4)17-8/h6-10,13H,5H2,1-4H3/t6-,7-,8+,9+,10+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Diaceton-alpha-D-mannofuranose

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-Di-O-isopropylidene-D-mannitol1707-77-353 % similar 3-O-Acetyl-1,2:5,6-di-O-isopropylidene-α-D-glucofuranose16713-80-748 % similar 1,2:5,6-Bis-O-(1-methylethylidene)-3-O-(phenylmethyl)-α-D-glucofuranose18685-18-245 % similar 4,4-Dimethyl-3,5,8-trioxabicyclo[5.1.0]octane57280-22-542 % similar 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-ribo-hexofuranos-3-ulose2847-00-940 % similar Solketal100-79-838 % similar (R)-Solketal14347-78-538 % similar (+)-Solketal22323-82-638 % similar

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

Same formula

Glycerol triglycidyl ether13236-02-7 Tripropionin139-45-7 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-gulofuranose14686-89-6 Diacetone L-sorbose17682-70-1 2,3:4,5-Di-O-isopropylidene-β-D-fructopyranose20880-92-6 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-allofuranose2595-05-3 1,2:3,4-Di-O-isopropylidene-α-D-galactopyranose4064-06-6 Diacetone-D-glucose582-52-5

Elsewhere

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