ChemSpider 2D Image | (2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4-oxo-7-chromanolate | C15H11O7

(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4-oxo-7-chromanolate

  • Molecular FormulaC15H11O7
  • Average mass303.244 Da
  • Monoisotopic mass303.051025 Da
  • ChemSpider ID26331122

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4-oxo-7-chromanolat [German] [ACD/IUPAC Name]
(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4-oxo-7-chromanolate [ACD/IUPAC Name]
(2R,3R)-2-(3,4-Dihydroxyphényl)-3,5-dihydroxy-4-oxo-7-chromanolate [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-, ion(1-), (2R,3R)- [ACD/Index Name]
(+)-Dihydroquercetin
(+)-Taxifolin
(+)-taxifolin anion
(+)-taxifolin(1-)
(+)-taxifolin-7-olate
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxochroman-7-olate
More...
  • Miscellaneous

    • Chemical Class:

      A flavonoid oxoanion that is the conjugate base of (+)-taxifolin, arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3. ChEBI CHEBI:58329

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 687.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 264.2±25.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 10.31
ACD/KOC (pH 5.5): 183.56
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 3.31
ACD/KOC (pH 7.4): 58.88
Polar Surface Area: 130 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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