Basic information
- CAS
5346-79-2- Standard SMILES
CC1(C)OC2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2O1- InChIKey
AVFIYAXJEZQNAC-UHFFFAOYSA-N- Molecular formula
- C30H28O9
- Average molar mass
- 532.5 g/mol
- Monoisotopic mass
- 532.17333247
Names & identifiers
- Preferred name
- 3,4,6-Tri-o-benzoyl-1,2-o-(1-methylethylidene)hexopyranose
- IUPAC
- (6,7-dibenzoyloxy-2,2-dimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl)methyl benzoate
Names & synonyms
5346-79-23,4,6-tri-o-benzoyl-1,2-o-(1-methylethylidene)hexopyranoseNSC1677DTXSID10277327NSC-1677
Database identifiers
- CAS
5346-79-2- PubChem CID
- 219892
- DTXSID
DTXSID10277327
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 854
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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