Tetracenomycin C, 6-chloro-
Basic information
- CAS
82277-60-9- Standard SMILES
COC(=O)c1c(OC)cc2c(Cl)c3c(c(O)c2c1C)C(=O)[C@@]1(O)C(=O)C=C(OC)[C@H](O)[C@@]1(O)C3=O- InChIKey
LTZNFWSIPXTUGV-OFAXGOBFSA-N- Molecular formula
- C23H19ClO11
- Average molar mass
- 506.8 g/mol
- Monoisotopic mass
- 506.0615891
Names & identifiers
- Preferred name
- Tetracenomycin C, 6-chloro-
- IUPAC
- methyl (6aS,7R,10aS)-5-chloro-6a,7,10a,12-tetrahydroxy-3,8-dimethoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate
Names & synonyms
82277-60-9Tetracenomycin C, 6-chloro-DTXSID40639333NSC341632NSC-341632Methyl (6aS,7R,10aS)-5-chloro-6a,7,10a,12-tetrahydroxy-3,8-dimethoxy-1-methyl-6,10,11-trioxo-6,6a,7,10,10a,11-hexahydrotetracene-2-carboxylate
Database identifiers
- CAS
82277-60-9- PubChem CID
- 24199767
- DTXSID
DTXSID40639333
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 996
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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