5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-((2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-, hydrochloride, (8S-cis)-
Basic information
- CAS
70095-84-0- Standard SMILES
COc1ccc(O)c2c1C(=O)c1c(cc3c(c1O)C(OC1CC(N(C)C)C(O)C(C)O1)CC(O)(C(C)=O)C3)C2=O.Cl- InChIKey
PQICIELCESTBRG-UHFFFAOYSA-N- Molecular formula
- C29H34ClNO10
- Average molar mass
- 592 g/mol
- Monoisotopic mass
- 591.187124
Names & identifiers
- Preferred name
- 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-((2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-, hydrochloride, (8S-cis)-
- IUPAC
- 9-acetyl-7-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-1,6,9-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Names & synonyms
SCHEMBL312376595,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-((2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-, hydrochloride, (8S-cis)-9-acetyl-7-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-1,6,9-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Database identifiers
- CAS
70095-84-0- PubChem CID
- 153244
Properties
Computed structural properties
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,010
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