N,N-Dibenzyladriamycin
Basic information
- CAS
70878-58-9- Standard SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N(Cc2ccccc2)Cc2ccccc2)C(O)C(C)O1- InChIKey
CDXATEMWFKNOJW-UHFFFAOYSA-N- Molecular formula
- C41H41NO11
- Average molar mass
- 723.8 g/mol
- Monoisotopic mass
- 723.26796112
Names & identifiers
- Preferred name
- N,N-Dibenzyladriamycin
- IUPAC
- 7-[4-(dibenzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Names & synonyms
70878-58-9N,N-DibenzyladriamycinDTXSID509911565,12-Naphthacenedione, 10-((3-bis(phenylmethyl)amino)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dibenzylamino)hexopyranoside
Database identifiers
- CAS
70878-58-9- PubChem CID
- 153289
- DTXSID
DTXSID50991156
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…