Mannitol, 6-bromo-6-deoxy-, (D)-
Basic information
- CAS
15430-94-1- Standard SMILES
OCC(O)C(O)C(O)C(O)CBr- InChIKey
IBXOWOYVOOTHAW-UHFFFAOYSA-N- Molecular formula
- C6H13BrO5
- Average molar mass
- 245.07 g/mol
- Monoisotopic mass
- 243.99464
Names & identifiers
- Preferred name
- Mannitol, 6-bromo-6-deoxy-, (D)-
- IUPAC
- 6-bromohexane-1,2,3,4,5-pentol
- English name
- 6-Bromo-6-deoxy-D-mannitol
- Molecular formula
- C6H13BrO5
- Molecular weight
- 245.07
Names & synonyms
MANNITOL, 6-BROMO-6-DEOXY-, (D)-15430-94-1RefChem:10888566-Bromomannitol6-Monobromomannitol6-Bromo-6-deoxy-D-mannitol1-bromo-1-deoxyhexitol6-bromo-6-deoxy-hexitolSCHEMBL3798965SCHEMBL15948261DTXSID80934970D-Mannitol, 1-bromo-1-deoxy-
Database identifiers
- CAS
15430-94-1- PubChem CID
- 27283
- DTXSID
DTXSID80934970
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 123
Physicochemical properties
- Boiling point
- 543.9 · 543.9±50.0 °C(Predicted)
- Density
- 1.888 · 1.888±0.06 g/cm3(Predicted)
- pka
- 12.93 · 12.93±0.20(Predicted)
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Compound notes
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