Basic information
- Standard SMILES
CC(=O)OC[C@H](OC(C)=O)[C@H]1OC[C@@H](OC(C)=O)[C@@H]1OC(C)=O- InChIKey
XYTVZFGQLPBQQL-DGAVXFQQSA-N- Molecular formula
- C14H20O9
- Average molar mass
- 332.3 g/mol
Names & identifiers
- Preferred name
- 1,2,4,5-tetra-O-acetyl-3,6-anhydrogalactitol
- IUPAC
- [(2S)-2-acetyloxy-2-[(2R,3S,4R)-3,4-diacetyloxyoxolan-2-yl]ethyl] acetate
- English name
- Galactitol, 1,4-anhydro-, tetraacetate
- Molecular formula
- C14H20O9
- Molecular weight
- 332.31
Names & synonyms
1,2,4,5-tetra-O-acetyl-3,6-anhydrogalactitol3,6-Anhydrohexit-tetraacetat3,6-Anhydro-D-talit-tetraacetat1,4-Anhydro-DL-allitol-tetraacetatGalactitol, 1,4-anhydro-, tetraacetatetetra-O-acetyl-L-1,4-anhydro-galactitolGalactitol, 1,4-anhydro-, tetraacetate (9CI)2,3,5,6-tetra-O-acetyl-1,4-anhydro-D-glucitol
Database identifiers
- CAS
134054-60-7
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 473
Physicochemical properties
- Boiling point
- 410.7 · 410.7±45.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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