chempirical

1,2:5,6-Bis-O-(1-methylethylidene)-α-D-ribo-hexofuranos-3-ulose

C12H18O6CAS 2847-00-9258.27 g/mol

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AcetalEtherKetone

Properties

Molecular formula
C12H18O6
Molar mass
258.27 g/mol
Exact mass
258.1103 Da
Melting point
37–40 °C
Boiling point
97 °C (at 0.01 Torr)
logP
0.58Crippen estimate
Polar surface area
63.2 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
1
Stereocentres
R, R, R, Sin SMILES atom order

Identifiers

CAS number
2847-00-9
SMILES
CC1(C)O[C@H]2O[C@H]([C@H]3COC(C)(C)O3)C(=O)[C@H]2O1
InChIKey
QSRFRZJIRAOQSJ-PEBGCTIMSA-N
InChI
InChI=1S/C12H18O6/c1-11(2)14-5-6(16-11)8-7(13)9-10(15-8)18-12(3,4)17-9/h6,8-10H,5H2,1-4H3/t6-,8-,9-,10-/m1/s1

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Names and synonyms

6 names
  • α-D-Ribo-Hexofuranos-3-ulose, 1,2:5,6-bis-O-(1-methylethylidene)-
  • D-Ribo-Hexofuranos-3-ulose, 1,2:5,6-di-O-isopropylidene-, α-
  • D-Ribo-Hexofuranos-3-ulose, 1,2:5,6-di-O-isopropylidene-
  • Furo[2,3-d]-1,3-dioxole, α-D-ribo-hexofuranos-3-ulose deriv.
  • 1,2:5,6-Di-O-isopropylidene-α-D-ribo-hexofuranos-3-ulose
  • 1,2:5,6-Di-O-isopropylidene-α-D-ribohexofuran-3-ulose

Work with 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-ribo-hexofuranos-3-ulose

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

3-O-Acetyl-1,2:5,6-di-O-isopropylidene-α-D-glucofuranose16713-80-748 % similar 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-gulofuranose14686-89-644 % similar 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-allofuranose2595-05-344 % similar Diacetone-D-glucose582-52-544 % similar 1,2:5,6-Di-O-isopropylidene-D-mannitol1707-77-341 % similar 1,2:5,6-Bis-O-(1-methylethylidene)-3-O-(phenylmethyl)-α-D-glucofuranose18685-18-240 % similar 4,4-Dimethyl-3,5,8-trioxabicyclo[5.1.0]octane57280-22-539 % similar 2,3-O-Isopropylidene-D-glyceric acid methyl ester52373-72-537 % similar

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

Elsewhere

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