Basic information
- CAS
11081-47-3- Standard SMILES
C/C=C(/C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c(C2COC(C)C(OC(C)=O)C2(C)N(C)C)cc(C2CC(N(C)C)C(O)C(C)O2)c1C3=O- InChIKey
IGGBURDWCSROFD-PDGQHHTCSA-N- Molecular formula
- C41H50N2O10
- Average molar mass
- 730.8 g/mol
- Monoisotopic mass
- 730.3465458
Names & identifiers
- Preferred name
- 4H-Anthra(1,2-b)pyran-4,7,12-trione, 10-(4-O-acetyl-2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-11-hydroxy-5-methyl-2-(1-methyl-1-propenyl)-8-(2,3,6-trideoxy-3-(dimethylamino)-beta-D-arabino-hexopyranosyl)-, (E)-
- IUPAC
- [5-[2-[(Z)-but-2-en-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methyl-4,7,12-trioxonaphtho[2,3-h]chromen-10-yl]-4-(dimethylamino)-2,4-dimethyloxan-3-yl] acetate
Names & synonyms
BRN 16763774H-Anthra(1,2-b)pyran-4,7,12-trione, 10-(4-O-acetyl-2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-11-hydroxy-5-methyl-2-(1-methyl-1-propenyl)-8-(2,3,6-trideoxy-3-(dimethylamino)-beta-D-arabino-hexopyranosyl)-, (E)-
Database identifiers
- CAS
11081-47-3- PubChem CID
- 6444201
- DTXSID
DTXSID401028312
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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