Basic information
- CAS
5346-88-3- Standard SMILES
O=C(OCC(O)C(O)C(O)C(O)COC(=O)c1ccccc1)c1ccccc1- InChIKey
LDFVROHMRYBVGB-UHFFFAOYSA-N- Molecular formula
- C20H22O8
- Average molar mass
- 390.4 g/mol
- Monoisotopic mass
- 390.13146766
Names & identifiers
- Preferred name
- 1,6-Di-O-benzoylhexitol
- IUPAC
- (6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl) benzoate
Names & synonyms
1,6-Di-O-benzoylhexitolDTXSID10993015RefChem:1053495DTXCID3014200781,6-Dibenzoyl-D-mannitol7226-27-9(6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl) benzoateNSC 113463Glucitol, 1,6-dibenzoate, D-NSC1693Glucitol,6-dibenzoate, D-1,6-Di-O-benzoylhexitol #
Show more names
SCHEMBL23227764LDFVROHMRYBVGB-UHFFFAOYSA-NNSC-1693NSC113463AKOS024325275NSC-1134632,3,4,5-Tetrahydroxyhexane-1,6-diyl dibenzoate
Database identifiers
- CAS
5346-88-3、7226-27-9- PubChem CID
- 23653
- DTXSID
DTXSID10993015
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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