ChemSpider 2D Image | (2R,3S)-2-(4-Hydroxy-3-methoxyphenyl)-3,5,7-chromanetriol | C16H16O6

(2R,3S)-2-(4-Hydroxy-3-methoxyphenyl)-3,5,7-chromanetriol

  • Molecular FormulaC16H16O6
  • Average mass304.295 Da
  • Monoisotopic mass304.094696 Da
  • ChemSpider ID24842580

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-2-(4-Hydroxy-3-methoxyphenyl)-3,5,7-chromanetriol [ACD/IUPAC Name]
(2R,3S)-2-(4-Hydroxy-3-méthoxyphényl)-3,5,7-chromanetriol [French] [ACD/IUPAC Name]
(2R,3S)-2-(4-Hydroxy-3-methoxyphenyl)-3,5,7-chromantriol [German] [ACD/IUPAC Name]
2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(4-hydroxy-3-methoxyphenyl)-, (2R,3S)- [ACD/Index Name]
(+)-3'-O-methylcatechin
(+)-catechin-3'-methyl ether
(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
(2R-trans)-3,4-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-2H-1-benzopyran-3,5,7-triol
3'-Methylcatechin
More...

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

  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A member of the class of catechins that is (+)-catechin in which the hydroxy group at position 3' has been replaced by a methoxy group. It is a metabolite of (+)-catechin, a major polyphenol found in several fruits and vegetables. ChEBI CHEBI:149610
      Flavanols Phenol-Explorer 770
      Flavonoids Phenol-Explorer 770

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

Density: 1.5±0.1 g/cm3
Boiling Point: 589.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 310.6±30.1 °C
Index of Refraction: 1.679
Molar Refractivity: 78.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.80
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 3.58
ACD/KOC (pH 5.5): 86.68
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 3.52
ACD/KOC (pH 7.4): 85.37
Polar Surface Area: 99 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 69.5±3.0 dyne/cm
Molar Volume: 207.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement