1,4:3,6-Dianhydro-2,5-di-o-propanoylhexitol
Basic information
- CAS
6338-38-1- Standard SMILES
CCC(=O)OC1COC2C(OC(=O)CC)COC12- InChIKey
OYHMRANBYBXHGV-UHFFFAOYSA-N- Molecular formula
- C12H18O6
- Average molar mass
- 258.27 g/mol
- Monoisotopic mass
- 258.11033829
Names & identifiers
- Preferred name
- 1,4:3,6-Dianhydro-2,5-di-o-propanoylhexitol
- IUPAC
- (6-propanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) propanoate
Names & synonyms
1,4:3,6-dianhydro-2,5-di-o-propanoylhexitol6338-38-1DTXSID20979542
Database identifiers
- CAS
6338-38-1- PubChem CID
- 237328
- DTXSID
DTXSID20979542
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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