Basic information
- CAS
83349-36-4- Standard SMILES
C=C(O)C(O)C(O)C(O)CBr- InChIKey
YCDUUMUTLUFECQ-UHFFFAOYSA-N- Molecular formula
- C6H11BrO4
- Average molar mass
- 227.05 g/mol
- Monoisotopic mass
- 225.98407
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1,2-Anhydro-6-bromomannitol
- IUPAC
- 6-bromohex-1-ene-2,3,4,5-tetrol
- English name
- 1,2-Anhydro-6-bromo-6-deoxy-D-mannitol
- Molecular formula
- C6H11BrO4
- Molecular weight
- 227.053
Names & synonyms
1,2-Anhydro-6-bromomannitol83349-36-4BrEpMRefChem:716046-bromohex-1-ene-2,3,4,5-tetrol1,2-Anhydro-6-bromo-6-deoxy-D-mannitolD-MANNITOL, 1,2-ANHYDRO-6-BROMO-6-DEOXY-1,2-anhydro-6-deoxy-D-mannitolDTXSID9010033411-bromo-1,6-dideoxyhex-5-enitol
Database identifiers
- CAS
83349-36-4- PubChem CID
- 54993
- DTXSID
DTXSID901003341
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 139
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)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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