ChemSpider 2D Image | (2R,3R)-2-(3,4-Dihydroxyphenyl)-4-methyl-3,5,7-chromanetriol | C16H16O6

(2R,3R)-2-(3,4-Dihydroxyphenyl)-4-methyl-3,5,7-chromanetriol

  • Molecular FormulaC16H16O6
  • Average mass304.295 Da
  • Monoisotopic mass304.094696 Da
  • ChemSpider ID35032841

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2R,3R)-2-(3,4-Dihydroxyphenyl)-4-methyl-3,5,7-chromanetriol [ACD/IUPAC Name]
(2R,3R)-2-(3,4-Dihydroxyphényl)-4-méthyl-3,5,7-chromanetriol [French] [ACD/IUPAC Name]
(2R,3R)-2-(3,4-Dihydroxyphenyl)-4-methyl-3,5,7-chromantriol [German] [ACD/IUPAC Name]
2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-4-methyl-, (2R,3R)- [ACD/Index Name]
(2R,3R)-2-(3,4-dihydroxyphenyl)-4-methyl-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
4-Methyl-epicatechin

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

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

Density: 1.5±0.1 g/cm3
Boiling Point: 597.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 315.3±30.1 °C
Index of Refraction: 1.702
Molar Refractivity: 78.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 3.14
ACD/KOC (pH 5.5): 78.87
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.06
ACD/KOC (pH 7.4): 76.97
Polar Surface Area: 110 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 76.3±3.0 dyne/cm
Molar Volume: 202.2±3.0 cm3

Click to predict properties on the Chemicalize site


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