Basic information
- CAS
6936-78-3- Standard SMILES
O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2cc3c(cc21)C1(OC3=O)c2ccc(O)cc2Oc2cc(O)ccc21- InChIKey
VXYOZMGEWUONQX-UHFFFAOYSA-N- Molecular formula
- C34H18O10
- Average molar mass
- 586.5 g/mol
- Monoisotopic mass
- 586.08999677
Names & identifiers
- Preferred name
- 3,3'',6,6''-Tetrahydroxydispiro[xanthene-9,1'-benzo[1,2-c:4,5-c']difuran-5',9''-xanthene]-3',7'-dione
- IUPAC
- 3,3'',6,6''-Tetrahydroxydispiro[xanthene-9,1'-benzo[1,2-c:4,5-c']difuran-5',9''-xanthene]-3',7'-dione
Names & synonyms
6936-78-33,3'',6,6''-tetrahydroxydispiro[xanthene-9,1'-benzo[1,2-c:4,5-c']difuran-5',9''-xanthene]-3',7'-dioneNSC43945DTXSID10286156NSC-43945
Database identifiers
- CAS
6936-78-3- PubChem CID
- 239140
- DTXSID
DTXSID10286156- Nikkaji
- J3.788.544D
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 0
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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