Basic information
- CAS
20847-01-2- Standard SMILES
O[C@H]([C@H](O)[C@@H](O)CCl)[C@H](O)CCl- InChIKey
VSYOJRJNYPFTHS-GUCUJZIJSA-N- Molecular formula
- C6H12Cl2O4
- Average molar mass
- 219.06 g/mol
- Monoisotopic mass
- 218.0112642
Names & identifiers
- Preferred name
- Galactitol, 1,6-dichloro-1,6-dideoxy-
- IUPAC
- (2R,3S,4R,5S)-1,6-dichlorohexane-2,3,4,5-tetrol
Names & synonyms
NIOSH/LW54310001,6-Dichloro-1,6-dideoxy-D-dulcitol1,6-Dichloro-1,6-dideoxy-D-galactitolLW54310000Galactitol, 1,6-dichloro-1,6-dideoxy-, D-DichlorodulcitolGalactitol, 1,6-dichloro-1,6-dideoxy-1,6-Dichloro-1,6-dideoxydulcitol1,6-DichlorodulcitolNSC 232023
Database identifiers
- CAS
20847-01-2- PubChem CID
- 99517
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 110
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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