Basic information
- CAS
57847-74-2- Standard SMILES
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(O)C(OC)C(C)(O)C3=O- InChIKey
XCKPEEOERDVHKS-UHFFFAOYSA-N- Molecular formula
- C21H18O9
- Average molar mass
- 414.4 g/mol
- Monoisotopic mass
- 414.09508215
Names & identifiers
- Preferred name
- 2,4,5,7-Tetrahydroxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
- IUPAC
- 2,4,5,7-tetrahydroxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
Names & synonyms
57847-74-2NSC248610STEFFIMYCINONE2,4,5,7-tetrahydroxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trioneDTXSID90330348NSC-2486102,4,5,7-Tetrahydroxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11(2H)-trione
Database identifiers
- CAS
57847-74-2- PubChem CID
- 429119
- DTXSID
DTXSID90330348
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 753
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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