5,12-Naphthacenedione, 9-acetyl-7-((3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,9-dihydroxy-, (7S-cis)-
Basic information
- CAS
85504-84-3- Standard SMILES
CC(=O)[C@]1(O)Cc2cc3c(c(O)c2C(OC2CC(N)C(O)C(C)O2)C1)C(=O)c1ccccc1C3=O- InChIKey
GDGDDTIYKPCVEG-UTDQUHEESA-N- Molecular formula
- C26H27NO8
- Average molar mass
- 481.5 g/mol
- Monoisotopic mass
- 481.17366682
Names & identifiers
- Preferred name
- 5,12-Naphthacenedione, 9-acetyl-7-((3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,9-dihydroxy-, (7S-cis)-
- IUPAC
- (9S)-9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Names & synonyms
4-Demethoxy-11-deoxy-4'-epidaunorubicin5,12-Naphthacenedione, 9-acetyl-7-((3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,9-dihydroxy-, (7S-cis)-85504-84-3
Database identifiers
- CAS
85504-84-3- PubChem CID
- 129012222
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 879
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Compound notes
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