2,5-O-Methylidenehexitol
Basic information
- CAS
36566-49-1- Standard SMILES
OCC1OCOC(CO)C(O)C1O- InChIKey
DBGKIDGPXZLFEC-UHFFFAOYSA-N- Molecular formula
- C7H14O6
- Average molar mass
- 194.18 g/mol
- Monoisotopic mass
- 194.07903816
Names & identifiers
- Preferred name
- 2,5-O-Methylidenehexitol
- IUPAC
- 4,7-bis(hydroxymethyl)-1,3-dioxepane-5,6-diol
- English name
- 2,5-O-Methylene-D-mannitol
- Molecular formula
- C7H14O6
- Molecular weight
- 194.18
Names & synonyms
NSC2260542,5-O-MethylidenehexitolOprea1_508070DTXSID70957850AKOS024319548NSC-226054Einecs 253-108-72,5-O-Methylene-D-mannitol2-O,5-O-Methylene-D-mannitolD-Mannitol, 2,5-O-methylene- (9CI)(4R)-4α,7β-Bis(hydroxymethyl)-1,3-dioxepane-5β,6α-diol(4R,5S,6S,7R)-5,6-Dihydroxy-1,3-dioxepane-4,7-dimethanol
Database identifiers
- CAS
36566-49-1- PubChem CID
- 312992
- DTXSID
DTXSID70957850
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 99.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Melting point
- 174 · 174-175 °C
- Safety Statements
- 22 · 22-24/25
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
- safety_code
- 22-24/25
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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