Tri-O-acetyl-D-galactal
Properties
- Molecular formula
- C12H16O7
- Molar mass
- 272.25 g/mol
- Exact mass
- 272.0896 Da
- Melting point
- 30 °C
- Boiling point
- 138–140 °C
- logP
- 0.33Crippen estimate
- Polar surface area
- 88.1 Ų
- H-bond donors / acceptors
- 0 / 7
- Rotatable bonds
- 4
- Stereocentres
- R, R, Rin SMILES atom order
Identifiers
CAS number
4098-06-0SMILES
CC(=O)OC[C@H]1OC=C[C@@H](OC(C)=O)[C@H]1OC(C)=OInChIKey
LLPWGHLVUPBSLP-IJLUTSLNSA-NInChI
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/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- D-Arabino-Hex-5-enitol, 2,6-anhydro-5-deoxy-, 1,3,4-triacetate
- D-Lyxo-Hex-1-enopyranose, 1,2-dideoxy-, triacetate
- D-Arabino-Hex-5-enitol, 2,6-anhydro-5-deoxy-, triacetate
- Galactal, triacetate
- 3,4,6-Tri-O-acetyl-D-galactal
- Triacetylgalactal
- D-Galactal triacetate
- Triacetyl-D-galactal
Work with Tri-O-acetyl-D-galactal
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
Boiling point under vacuumAt any pressure, from its normal boiling point
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