chempirical

3-O-Acetyl-1,2:5,6-di-O-isopropylidene-α-D-glucofuranose

C14H22O7CAS 16713-80-7302.32 g/mol

Open in Covalent MOL file
OOOOOOO
AcetalEsterEther

Properties

Molecular formula
C14H22O7
Molar mass
302.32 g/mol
Exact mass
302.1366 Da
logP
0.95Crippen estimate
Polar surface area
72.5 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
2
Stereocentres
S, R, R, R, Rin SMILES atom order

Identifiers

CAS number
16713-80-7
SMILES
CC(=O)O[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H]1COC(C)(C)O1
InChIKey
QZKDRLZSJSWQPS-RMPHRYRLSA-N
InChI
InChI=1S/C14H22O7/c1-7(15)17-10-9(8-6-16-13(2,3)19-8)18-12-11(10)20-14(4,5)21-12/h8-12H,6H2,1-5H3/t8-,9-,10+,11-,12-/m1/s1

Weigh it out

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

Names and synonyms

6 names
  • α-D-Glucofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-, 3-acetate
  • Glucofuranose, 1,2:5,6-di-O-isopropylidene-, acetate, α-D-
  • α-D-Glucofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-, acetate
  • Furo[2,3-d]-1,3-dioxole, α-D-glucofuranose deriv.
  • 1,2:5,6-Di-O-isopropylidene-α-D-glucofuranose 3-acetate
  • 1,2:5,6-Di-O-isopropylidene-α-D-glucofuranose acetate

Work with 3-O-Acetyl-1,2:5,6-di-O-isopropylidene-α-D-glucofuranose

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-gulofuranose14686-89-659 % similar 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-allofuranose2595-05-359 % similar Diacetone-D-glucose582-52-559 % similar 1,2:5,6-Bis-O-(1-methylethylidene)-3-O-(phenylmethyl)-α-D-glucofuranose18685-18-252 % similar 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-ribo-hexofuranos-3-ulose2847-00-948 % similar Octaacetyl-β-maltose22352-19-845 % similar α-D-Cellobiose octaacetate5346-90-745 % similar Sucrose octaacetate126-14-742 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook