Basic information
- CAS
70655-78-6- Standard SMILES
CCCCCCCCCCCCCCCC(=O)NC1CC(OC2CC(O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)OC(C)C1O- InChIKey
FGRUTHGARXTTNU-UHFFFAOYSA-N- Molecular formula
- C43H59NO11
- Average molar mass
- 765.9 g/mol
- Monoisotopic mass
- 765.4088117
Names & identifiers
- Preferred name
- N-Palmitoyldaunorubicin
- 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]hexadecanamide
- English name
- N-palmitoyldaunorubicin
- Molecular formula
- C43H59NO11
- Molecular weight
- 765.93
Names & synonyms
N-Palmitoyldaunorubicin70655-78-6RefChem:164086N-PalmitoyldaunomycinN-[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]hexadecanamideDAUNOMYCIN, N-PALMITOYLDTXSID50990886NSC256957NSC 256957NSC-2569573-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[(1-hydroxyhexadecylidene)amino]hexopyranoside5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-((1-oxohexadecyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-
Show more names
5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[[2,3,6-trideoxy-3-[(1-oxohexadecyl)amino]-α-L-lyxo-hexopyranosyl]oxy]-, (8S,10S)-
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 19
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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