Basic information
- CAS
40984-16-5- Standard SMILES
OC[C@]1(O[C@H]2O[C@H](CCl)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CCl)[C@@H](O)[C@@H]1O- InChIKey
CLNTYBMYKFEPCU-GWRCVIBKSA-N- Molecular formula
- C12H20Cl2O9
- Average molar mass
- 379.18 g/mol
- Monoisotopic mass
- 378.0484376
Names & identifiers
- Preferred name
- 6,6'-Dichloro-6,6'-dideoxysucrose
- IUPAC
- (2S,3S,4S,5R,6R)-2-(chloromethyl)-6-[(2R,3S,4S,5S)-5-(chloromethyl)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,4,5-triol
Names & synonyms
40984-16-56,6'-Dcds6,6'-Dichloro-6,6'-dideoxysucrose6-Chloro-6-deoxy-beta-D-fructofuranosyl-6-chloro-6-deoxy-alpha-D-glucopyranosidealpha-D-Glucopyranoside, 6-chloro-6-deoxy-beta-D-fructofuranosyl-6-chloro-6-deoxy-DTXSID009613646-Chloro-6-deoxyhex-2-ulofuranosyl 6-chloro-6-deoxyhexopyranoside6-chloro-6-deoxy-alpha-D-fructofuranosyl 6-chloro-6-deoxy-alpha-D-glucopyranoside
Database identifiers
- CAS
40984-16-5- PubChem CID
- 218640
- DTXSID
DTXSID00961364
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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