Basic information
- Standard SMILES
O[C@@H]1O[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1[C@@H](c1ccc3c(c1)OCO3)O[C@@H]2O- InChIKey
XGGAWFDOIDZRPI-YDETXVTLSA-N- Molecular formula
- C20H18O8
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.10016754
Overview
(1S,3S,3aS,4S,6R,6aS)-1,4-bis(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3,6-diol has been reported in Vitex negundo with data available.
Names & identifiers
- Preferred name
- (1S,3S,3aS,4S,6R,6aS)-1,4-bis(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3,6-diol
- IUPAC
- (1S,3S,3aS,4S,6R,6aS)-1,4-bis(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3,6-diol
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 95.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 539
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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