4-Demethoxy-6-deoxy-6-aminodaunomycin
Basic information
- CAS
115281-40-8- Standard SMILES
CC(=O)[C@]1(O)Cc2c(O)c3c(c(N)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O- InChIKey
GJMMSZSSMFLOCK-NPKRIOTJSA-N- Molecular formula
- C26H28N2O8
- Average molar mass
- 496.5 g/mol
- Monoisotopic mass
- 496.18456586
Names & identifiers
- Preferred name
- 4-Demethoxy-6-deoxy-6-aminodaunomycin
- IUPAC
- (7S,9S)-9-acetyl-6-amino-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9,11-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Names & synonyms
115281-40-84-Demethoxy-6-deoxy-6-aminodaunomycin
Database identifiers
- CAS
115281-40-8- PubChem CID
- 129012223
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 914
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…