Basic information
- CAS
75444-30-3- Standard SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@@H](N)[C@H](O)[C@@H](C)O1- InChIKey
STQGQHZAVUOBTE-WMWBVKAFSA-N- Molecular formula
- C27H29NO10
- Average molar mass
- 527.5 g/mol
- Monoisotopic mass
- 527.17914612
Names & identifiers
- Preferred name
- 5,12-Naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-D-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-
- IUPAC
- (7S,9S)-9-acetyl-7-[(2S,4R,5S,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Names & synonyms
1',3',5'-epi-Daunomycin5,12-Naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-D-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-75444-30-3
Database identifiers
- CAS
75444-30-3- PubChem CID
- 153754
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 960
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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