6,8-Dimorpholinomethylquercetin dihydrochloride
Basic information
- CAS
31123-95-2- Standard SMILES
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(C[NH+]3CCOCC3)c(O)c(C[NH+]3CCOCC3)c(O)c12.[Cl-].[Cl-]- InChIKey
YXQFOIMOGDBJJK-UHFFFAOYSA-N- Molecular formula
- C25H30Cl2N2O9
- Average molar mass
- 573.4 g/mol
- Monoisotopic mass
- 572.1328359
Names & identifiers
- Preferred name
- 6,8-Dimorpholinomethylquercetin dihydrochloride
- IUPAC
- 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6,8-bis(morpholin-4-ium-4-ylmethyl)chromen-4-one dichloride
Names & synonyms
6,8-Dimorpholinomethylquercetin, dihydrochloride6,8-Dimorpholinomethyl-3,3',4',5,7-pentahydroxyflavone, dihydrochloride6,8-Dimorpholinomethylquercetin dihydrochlorideFLAVONE, 6,8-DIMORPHOLINOMETHYL-3,3',4',5,7-PENTAHYDROXY-, DIHYDROCHLORIDE31123-95-2RefChem:306345
Database identifiers
- CAS
31123-95-2- PubChem CID
- 35738
Properties
Computed structural properties
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 813
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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