5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-((4-pyridinylcarbonyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-
Basic information
- CAS
70609-59-5- Standard SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(NC(=O)c2ccncc2)C(O)C(C)O1- InChIKey
SBAWLNDHOOGGLT-UHFFFAOYSA-N- Molecular formula
- C33H32N2O11
- Average molar mass
- 632.6 g/mol
- Monoisotopic mass
- 632.20060984
Names & identifiers
- Preferred name
- 5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-((4-pyridinylcarbonyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-
- IUPAC
- N-[6-[(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]pyridine-4-carboxamide
Names & synonyms
5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-((4-pyridinylcarbonyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-70609-59-5N-Isonicotinyl daunorubicinNSC 264073
Database identifiers
- CAS
70609-59-5- PubChem CID
- 99912
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 202 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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