Basic information
- Standard SMILES
O[C@H]([C@H](O)[C@@H]1CO1)[C@H](O)CBr- InChIKey
TTXMHDKJKIQMDJ-DPYQTVNSSA-N- Molecular formula
- C6H11BrO4
- Average molar mass
- 227.05 g/mol
- Monoisotopic mass
- 225.98407093
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1,2-Anhydro-6-bromogalactitol
- IUPAC
- (1S,2R,3S)-4-bromo-1-[(2S)-oxiran-2-yl]butane-1,2,3-triol
- English name
- 1,2-anhydro-6-bromogalactitol
- Molecular formula
- C6H11BrO4
- Molecular weight
- 227.05
Names & synonyms
1,2-Anhydro-6-bromogalactitol70791-26-3RefChem:906663Galactitol, 5,6-anhydro-1-bromo-1-deoxy-BrEpG1,2-Anhydro-6-brom-6-deoxydulcitol5,6-Anhydro-1-bromo-1-deoxyglactitol5,6-Anhydro-1-bromo-1-deoxygalactitol(1S,2R,3S)-4-bromo-1-[(2S)-oxiran-2-yl]butane-1,2,3-triolDTXSID609910665,6-Anhydro-1-bromo-1-deoxyhexitol84798-55-0
Show more names
1,2-anhydro-6-bromo-6-deoxy-D-galactitol
Database identifiers
- CAS
70791-26-3、84798-55-0- PubChem CID
- 158717
- DTXSID
DTXSID60991066
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Boiling point
- 443.8 · 443.8±45.0 °C(Predicted)
- Density
- 1.902 · 1.902±0.06 g/cm3(Predicted)
- pka
- 12.95 · 12.95±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Linked notes
Loading…