5(8H)-Naphthacenone, 8-acetyl-7,9,10,12-tetrahydro-6,8,11-trihydroxy-12-imino-1-methoxy-10-((2,3,6-trideoxy-3-(bis(phenylmethyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-
Basic information
- CAS
82267-10-5- Standard SMILES
COc1cccc2c1C(=N)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N(Cc2ccccc2)Cc2ccccc2)C(O)C(C)O1- InChIKey
WUXRUMUIXPVFQE-UHFFFAOYSA-N- Molecular formula
- C41H42N2O9
- Average molar mass
- 706.8 g/mol
- Monoisotopic mass
- 706.28903092
Names & identifiers
- Preferred name
- 5(8H)-Naphthacenone, 8-acetyl-7,9,10,12-tetrahydro-6,8,11-trihydroxy-12-imino-1-methoxy-10-((2,3,6-trideoxy-3-(bis(phenylmethyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-
- IUPAC
- 8-acetyl-10-[4-(dibenzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,8,11-trihydroxy-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one
Names & synonyms
82267-10-5N,N-Dibenzyl-5-iminodaunorubicin5(8H)-Naphthacenone, 8-acetyl-7,9,10,12-tetrahydro-6,8,11-trihydroxy-12-imino-1-methoxy-10-((2,3,6-trideoxy-3-(bis(phenylmethyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-DTXSID0010025843-Acetyl-11-amino-3,6-dihydroxy-10-methoxy-5,12-dioxo-1,2,3,4,5,12-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dibenzylamino)hexopyranoside
Database identifiers
- CAS
82267-10-5- PubChem CID
- 158205
- DTXSID
DTXSID001002584
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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