ChemSpider 2D Image | (2R,3R)-2-(3,4-Dihydroxyphenyl)-3,6,7-trihydroxy-2,3-dihydro-4H-chromen-4-one | C15H12O7

(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,6,7-trihydroxy-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC15H12O7
  • Average mass304.252 Da
  • Monoisotopic mass304.058289 Da
  • ChemSpider ID28498316

  • 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)-3,6,7-trihydroxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,6,7-trihydroxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2R,3R)-2-(3,4-Dihydroxyphényl)-3,6,7-trihydroxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,6,7-trihydroxy-, (2R,3R)- [ACD/Index Name]
6270-97-9 [RN]
Quercetin, dihydro-

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

Density: 1.7±0.1 g/cm3
Boiling Point: 722.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 277.0±26.4 °C
Index of Refraction: 1.763
Molar Refractivity: 73.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 2.54
ACD/KOC (pH 5.5): 67.67
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.32
ACD/KOC (pH 7.4): 35.23
Polar Surface Area: 127 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 100.4±3.0 dyne/cm
Molar Volume: 178.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement