1,6-Di-O-(benzenesulfonyl)hexitol
Basic information
- CAS
6331-08-4- Standard SMILES
O=S(=O)(OCC(O)C(O)C(O)C(O)COS(=O)(=O)c1ccccc1)c1ccccc1- InChIKey
RNFVCBBGDQMRMN-UHFFFAOYSA-N- Molecular formula
- C18H22O10S2
- Average molar mass
- 462.5 g/mol
- Monoisotopic mass
- 462.06543924
Names & identifiers
- Preferred name
- 1,6-Di-O-(benzenesulfonyl)hexitol
- IUPAC
- [6-(benzenesulfonyloxy)-2,3,4,5-tetrahydroxyhexyl] benzenesulfonate
Names & synonyms
6331-08-41,6-Di-O-(benzenesulfonyl)hexitolNSC45687DTXSID709794111,6-bis-O-(phenylsulfonyl)hexitolNSC-45687STK366628AKOS005443171
Database identifiers
- CAS
6331-08-4- PubChem CID
- 239906
- DTXSID
DTXSID70979411
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 638
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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