Basic information
- CAS
52021-61-1- Standard SMILES
CC(=O)OCCC(C=O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O- InChIKey
YTGNIIJMSNZCOG-UHFFFAOYSA-N- Molecular formula
- C20H16O9
- Average molar mass
- 400.3 g/mol
- Monoisotopic mass
- 400.07943208
Names & identifiers
- Preferred name
- 4-Oxo-3-(1,3,6,8-tetrahydroxy-9,10-dioxo-9,10-dihydroanthracen-2-YL)butyl acetate
- IUPAC
- [4-oxo-3-(1,3,6,8-tetrahydroxy-9,10-dioxoanthracen-2-yl)butyl] acetate
Names & synonyms
DTXSID309663624-OXO-3-(1,3,6,8-TETRAHYDROXY-9,10-DIOXO-9,10-DIHYDROANTHRACEN-2-YL)BUTYL ACETATE
Database identifiers
- CAS
52021-61-1- PubChem CID
- 40200
- DTXSID
DTXSID30966362
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 677
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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