Tetra-O-(beta-hydroxyethyl)-quercetins
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Basic information
- CAS
23077-87-4- Standard SMILES
O=c1c(O)c(-c2ccc(OCCO)c(OCCO)c2)oc2cc(OCCO)cc(OCCO)c12- InChIKey
ADDSRPUAUOLBIR-UHFFFAOYSA-N- Molecular formula
- C23H26O11
- Average molar mass
- 478.4 g/mol
Names & identifiers
- Preferred name
- Tetra-O-(beta-hydroxyethyl)-quercetins
- IUPAC
- 2-[3,4-bis(2-hydroxyethoxy)phenyl]-3-hydroxy-5,7-bis(2-hydroxyethoxy)chromen-4-one
- English name
- 4H-1-Benzopyran-4-one, 2-[3,4-bis(2-hydroxyethoxy)phenyl]-3-hydroxy-5,7-bis(2-hydroxyethoxy)-
- Molecular formula
- C23H26O11
- Molecular weight
- 478.45
Names & synonyms
23077-87-4Tetra-O-(beta-hydroxyethyl)-quercetinsTroxerutin Impurity 182-(3,4-bis(2-hydroxyethoxy)phenyl)-3-hydroxy-5,7-bis(2-hydroxyethoxy)-4H-chromen-4-one2-[3,4-Bis(2-hydroxyethoxy)phenyl]-3-hydroxy-5,7-bis(2-hydroxyethoxy)-4H-1-benzopyran-4-one; 3-hydroxy-3',4',5,7-tetrakis(2-hydroxyethoxy)flavone; Quercetin-O-tetra(alkanol);TroxerutinImpurity8Troxrutin Impurity 84H-1-Benzopyran-4-one, 2-[3,4-bis(2-hydroxyethoxy)phenyl]-3-hydroxy-5,7-bis(2-hydroxyethoxy)-
Database identifiers
- CAS
23077-87-4
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 13
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 669
Physicochemical properties
- Boiling point
- 789.2 · 789.2±60.0 °C(Predicted)
- Density
- 1.466 · 1.466±0.06 g/cm3(Predicted)
- pka
- 7.95 · 7.95±0.20(Predicted)
Chemistry & industry
Applications
UsesQuercetin-O-tetra(alkanol) is a quercetin metabolite.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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