3'-(4-Morpholinyl)-3'-deaminodaunorubicin
Basic information
- CAS
79867-78-0- Standard SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3O[C@H]1C[C@H](N2CCOCC2)[C@@H](O)C(C)O1- InChIKey
OYIWRKOSDGPKFD-NMOJSDROSA-N- Molecular formula
- C31H35NO11
- Average molar mass
- 597.6 g/mol
- Monoisotopic mass
- 597.22101093
Names & identifiers
- Preferred name
- 3'-(4-Morpholinyl)-3'-deaminodaunorubicin
- IUPAC
- 9-acetyl-6,9,11-trihydroxy-7-[(2R,4S,5R)-5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Names & synonyms
3'-(4-Morpholinyl)-3'-deaminodaunorubicinBRN 5232668CCRIS 508179867-78-0Morpholinodaunomycin5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-((2,3,6-trideoxy-3-(4-morpholinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-, (8S-cis)-5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-(4-morpholinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-94730-46-89-acetyl-6,9,11-trihydroxy-7-[(2R,4S,5R)-5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dioneDTXSID409153413-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl (5xi)-2,3,6-trideoxy-3-(morpholin-4-yl)-alpha-L-threo-hexopyranoside3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-morpholin-4-ylhexopyranoside
Database identifiers
- CAS
79867-78-0、94730-46-8- PubChem CID
- 93463
- DTXSID
DTXSID40915341
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…