Basic information
- CAS
161068-61-7- Standard SMILES
COc1cc2[nH]c3c(OC)c(OC)ccc3c(=O)c2c(O)c1[C@H]1c2c(cc(O)c3c(=O)c4cccc(O)c4n(C)c23)O[C@@H]1C(C)(C)O- InChIKey
FTTSBKFANOKIKQ-SFRLIIPVSA-N- Molecular formula
- C35H32N2O10
- Average molar mass
- 640.6 g/mol
- Monoisotopic mass
- 640.20569522
Names & identifiers
- Preferred name
- rel-(1R,2S)-1-(9,10-Dihydro-1-hydroxy-3,5,6-trimethoxy-9-oxo-2-acridinyl)-1,11-dihydro-5,10-dihydroxy-2-(1-hydroxy-1-methylethyl)-11-methylfuro[2,3-c]acridin-6(2H)-one
- IUPAC
- (1R,2S)-5,10-dihydroxy-2-(2-hydroxypropan-2-yl)-1-(1-hydroxy-3,5,6-trimethoxy-9-oxo-10H-acridin-2-yl)-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one
Names & synonyms
DTXSID201099311161068-61-7rel-(1R,2S)-1-(9,10-Dihydro-1-hydroxy-3,5,6-trimethoxy-9-oxo-2-acridinyl)-1,11-dihydro-5,10-dihydroxy-2-(1-hydroxy-1-methylethyl)-11-methylfuro[2,3-c]acridin-6(2H)-one
Database identifiers
- CAS
161068-61-7- PubChem CID
- 15768241
- DTXSID
DTXSID201099311
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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