chempirical

Tri-O-acetyl-D-glucal

C12H16O7CAS 2873-29-2272.25 g/mol

Open in Covalent MOL file
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AlkeneEsterEther

Properties

Molecular formula
C12H16O7
Molar mass
272.25 g/mol
Exact mass
272.0896 Da
Melting point
54–55 °C
Boiling point
115–125 °C (at 0.01 Torr)
logP
0.33Crippen estimate
Polar surface area
88.1 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
4
Stereocentres
R, R, Sin SMILES atom order

Identifiers

CAS number
2873-29-2
SMILES
CC(=O)OC[C@H]1OC=C[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey
LLPWGHLVUPBSLP-UTUOFQBUSA-N
InChI
InChI=1S/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10-,11-,12+/m1/s1

Weigh it out

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

Names and synonyms

10 names
  • D-Arabino-Hex-1-enitol, 1,5-anhydro-2-deoxy-, 3,4,6-triacetate
  • D-Arabino-Hex-1-enopyranose, 1,2-dideoxy-, triacetate
  • D-Arabino-Hex-1-enitol, 1,5-anhydro-2-deoxy-, triacetate
  • 3,4,6-Tri-O-acetyl-D-glucal
  • 3,4,6-Tri-O-acetyl-1,2-dideoxy-D-arabino-hex-1-enopyranose
  • D-Glucal triacetate
  • Triacetyl-D-glucal
  • Tri-O-acetylglucal
  • 3,4,6-Tri-O-acetylglucal
  • 3,4,6-Tris-O-acetyl-D-glucal

Work with Tri-O-acetyl-D-glucal

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

Di-O-acetyl-L-rhamnal34819-86-859 % similar 2,3,4,5,6-Penta-O-acetyl-D-glucose3891-59-657 % similar D-Gluconic acid δ-lactone 2,3,4,6-tetraacetate61259-48-152 % similar 1,2,3,5-Tetra-O-acetyl-β-D-ribofuranose13035-61-551 % similar 1,2,3,5-Tetra-O-acetyl--L-ribofuranose144490-03-951 % similar Penta-O-acetyl-α-D-galactopyranose4163-59-150 % similar β-D-Galactose pentaacetate4163-60-450 % similar α-D-Mannose pentaacetate4163-65-950 % similar

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

Same formula

Tri-O-acetyl-D-galactal4098-06-0 Arbutin497-76-7 α-Arbutin84380-01-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook