Basic information
- CAS
173429-82-8- Standard SMILES
COc1cc2c(c(O)c1[C@H]1c3c(cc(O)c4c(=O)c5ccc(O)c(OC)c5n(C)c34)O[C@@H]1C(C)(C)O)c(=O)c1ccc(O)c(OC)c1n2C- InChIKey
CWDCMHOLSPPPAS-IJAHGLKVSA-N- Molecular formula
- C36H34N2O11
- Average molar mass
- 670.7 g/mol
- Monoisotopic mass
- 670.2162599
Names & identifiers
- Preferred name
- Furo[2,3-c]acridin-6(2H)-one, 1-(9,10-dihydro-1,6-dihydroxy-3,5-dimethoxy-10-methyl-9-oxo-2-acridinyl)-1,11-dihydro-5,9-dihydroxy-2-(1-hydroxy-1-methylethyl)-10-methoxy-11-methyl-, trans-
- IUPAC
- (1R,2S)-1-(1,6-dihydroxy-3,5-dimethoxy-10-methyl-9-oxoacridin-2-yl)-5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one
Names & synonyms
DTXSID201098632173429-82-8Furo[2,3-c]acridin-6(2H)-one, 1-(9,10-dihydro-1,6-dihydroxy-3,5-dimethoxy-10-methyl-9-oxo-2-acridinyl)-1,11-dihydro-5,9-dihydroxy-2-(1-hydroxy-1-methylethyl)-10-methoxy-11-methyl-, trans-
Database identifiers
- CAS
173429-82-8- PubChem CID
- 15768243
- DTXSID
DTXSID201098632
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 5
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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