Chemical Properties of QUERCERTIN

QUERCERTIN

InChI
InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
InChI Key
REFJWTPEDVJJIY-UHFFFAOYSA-N
Formula
C15H10O7
SMILES
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
Molecular Weight1
302.24
Other Names
  • 2,(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one
  • 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one
  • 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one (quercetin)
  • 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4(4H)chromenone
  • 3,3',4',5,7-Pentahydroxyflavone
  • 3,5,7,3',4'-Pentahydroxyflavon
  • 3,5,7,3',4'-Pentahydroxyflavone
  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-
  • C.I. 75670
  • C.I. Natural Yellow 10
  • C.I. Natural red 1
  • C.I. Natural yellow 10 & 13
  • C.I. natural yellow 13
  • Cyanidelonon 1522
  • Cyanidenolon 1522
  • Flavone, 3,3',4',5,7-pentahydroxy-
  • Kvercetin
  • Meletin
  • NCI-C60106
  • NSC 9219
  • Quercetine
  • Quercetol
  • Quercitin
  • Quertin
  • Quertine
  • Ritacetin
  • Sophoretin
  • T-Gelb bzw. grun 1
  • Xanthaurine
  • quercetin
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Physical Properties

Property Value Unit Source
ΔfusH° 41.50 kJ/mol Solubility of Flavonoids in Organic Solvents
log10WS -3.35 Relay (1.0) Calculated Property
logPoct/wat 1.988 Crippen Calculated Property
McVol 196.320 ml/mol McGowan Calculated Property
Tfus 574.33 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 41.50 kJ/mol 595.20 NIST

Similar Compounds

Morin. Quercetin, 5,7,3',4'-tetra-TMS. 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-. 4H-1-BENZOPYRANE-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-. 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-. Eupatorin. Quercetin, 3,7,3',4'-tetra-TMS. CIRSILINEOL (5,4'-DIHYDROXY-6,7,3'-TRIMETHOXYFLAVONE). Flavone, 3,5,7-trihydroxy, bis-TMS. 4H-1-Benzopyran-4-one, 2-[3,4-bis[(trimethylsilyl)oxy]phenyl]-3,5,7-tris[(trimethylsilyl)oxy]-. Quercetin (5TMS). Jaceosidin. Myricetin, hexakis(trimethylsilyl) ether. Myricetin 6TMS. 2-(3,4-Dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-chromen-4-one.

Find more compounds similar to QUERCERTIN.

Mixtures

Sources

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