Basic information
- CAS
15430-91-8- Standard SMILES
OC(CI)C(O)C(O)C(O)CI- InChIKey
VSJYBSKARROHOH-UHFFFAOYSA-N- Molecular formula
- C6H12I2O4
- Average molar mass
- 401.97 g/mol
- Monoisotopic mass
- 401.8825
Names & identifiers
- Preferred name
- 1,6-Dideoxy-1,6-diiodohexitol
- IUPAC
- 1,6-diiodohexane-2,3,4,5-tetrol
- English name
- 1,6-Dideoxy-1,6-diiodo-D-mannitol
- Molecular formula
- C6H12I2O4
- Molecular weight
- 401.97
Names & synonyms
1,6-dideoxy-1,6-diiodohexitolDTXSID70934969RefChem:1053504DTXCID90136360615430-91-8MANNITOL, 1,6-DIDEOXY-1,6-DIIODO-, (D)-DJM34349-28-51,6-diiodohexane-2,3,4,5-tetrolNSC 245461,6-Dideoxy-1,6-diiodo-D-mannitol1,6-Diiodo-1,6-dideoxy-D-sorbitol
Show more names
1,6-Diiodo-1,6-dideoxy-D-mannitol
1,6-Didesoxy-1,6-diiodo-D-mannitolNSC 114017D-Glucitol, 1,6-dideoxy-1,6-diiodo-D-Mannitol, 1,6-dideoxy-1,6-diiodo-Glucitol, 1,6-dideoxy-1,6-diiodo-, D-1,6-Dijod-1,6-didesoxy-D-mannit [German]Mannitol, 1,6-didehydroxy-1,6-diiodo-, D-1,6-Dijod-1,6-didesoxy-D-mannit
Database identifiers
- CAS
15430-91-8、23261-25-8、34349-28-5- PubChem CID
- 27282
- DTXSID
DTXSID70934969
Properties
Computed structural properties
- XLogP
- 0
- 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
Physicochemical properties
- Boiling point
- 90.91 °C · 90.91°C (rough estimate)
- Density
- 2.0673 · 2.0673 (estimate)
- Toxicity
- 50 intraperitoneal · LD50 intraperitoneal in mouse: 1500mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 intraperitoneal in mouse: 1500mg/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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