Basic information
- CAS
62327-71-3- Standard SMILES
CCCCCCCCCCCC(=O)NC1CC(OC2CC(O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)OC(C)C1O- InChIKey
XJXFAWUIKCXQAL-UHFFFAOYSA-N- Molecular formula
- C39H51NO11
- Average molar mass
- 709.8 g/mol
- Monoisotopic mass
- 709.34621144
Names & identifiers
- Preferred name
- (8S-cis)-8-Acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-((1-oxododecyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione
- 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]dodecanamide
Names & synonyms
N-Dodecanoyl daunorubicinNSC 256956(8S-cis)-8-Acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-((1-oxododecyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-((1-oxododecyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-
Database identifiers
- CAS
62327-71-3- PubChem CID
- 99901
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 15
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…