9-(2-ethoxyacetyl)-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Basic information
- CAS
66678-18-0- Standard SMILES
CCOCC(=O)C1(O)Cc2c(O)c3c(c(O)c2C(O)C1)C(=O)c1c(OC)cccc1C3=O- InChIKey
IRKPXDHKKUKEIF-UHFFFAOYSA-N- Molecular formula
- C23H22O9
- Average molar mass
- 442.4 g/mol
- Monoisotopic mass
- 442.12638228
Names & identifiers
- Preferred name
- 9-(2-ethoxyacetyl)-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
- IUPAC
- 9-(2-ethoxyacetyl)-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Names & synonyms
66678-18-0NSC2726859-(2-ethoxyacetyl)-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dioneDTXSID40313580NSC-2726858-(Ethoxyacetyl)-6,8,10,11-tetrahydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
Database identifiers
- CAS
66678-18-0- PubChem CID
- 321491
- DTXSID
DTXSID40313580
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 769
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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