5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((3-(((S)-2-amino-4-methyl-1-oxopentyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-
Basic information
- CAS
66900-32-1- 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](NC(=O)[C@@H](N)CC(C)C)C(O)[C@H](C)O1- InChIKey
DZINNPYMYFDDHL-JCAGYPBYSA-N- Molecular formula
- C33H40N2O11
- Average molar mass
- 640.7 g/mol
- Monoisotopic mass
- 640.2632101
Names & identifiers
- Preferred name
- 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((3-(((S)-2-amino-4-methyl-1-oxopentyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-
- IUPAC
- (2S)-N-[(2S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2-amino-4-methylpentanamide
Names & synonyms
N-(L-Leucyl)-daunorubicin66900-32-1BRN 57211375,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((3-(((S)-2-amino-4-methyl-1-oxopentyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-NSC 311356
Database identifiers
- CAS
66900-32-1- PubChem CID
- 100515
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 215 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,180
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…