ChemSpider 2D Image | (2S,3R)-2-(4-Hydroxyphenyl)-3,5,7-chromanetriol | C15H14O5

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

  • Molecular FormulaC15H14O5
  • Average mass274.269 Da
  • Monoisotopic mass274.084137 Da
  • ChemSpider ID28286878

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(2S,3R)-2-(4-Hydroxyphenyl)-3,5,7-chromanetriol [ACD/IUPAC Name]
(2S,3R)-2-(4-Hydroxyphényl)-3,5,7-chromanetriol [French] [ACD/IUPAC Name]
(2S,3R)-2-(4-Hydroxyphenyl)-3,5,7-chromantriol [German] [ACD/IUPAC Name]
2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(4-hydroxyphenyl)-, (2S,3R)- [ACD/Index Name]
()-afzelechin
(-)-afzelechin
(2S,3R)-afzelechin

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

Density: 1.5±0.1 g/cm3
Boiling Point: 583.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 306.6±30.1 °C
Index of Refraction: 1.709
Molar Refractivity: 71.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.09
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 5.12
ACD/KOC (pH 5.5): 112.00
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 5.04
ACD/KOC (pH 7.4): 110.33
Polar Surface Area: 90 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 76.4±3.0 dyne/cm
Molar Volume: 183.8±3.0 cm3

Click to predict properties on the Chemicalize site


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