ChemSpider 2D Image | (3R,4R)-7,2'-dihydroxy-4'-methoxyisoflavanol | C16H16O5

(3R,4R)-7,2'-dihydroxy-4'-methoxyisoflavanol

  • Molecular FormulaC16H16O5
  • Average mass288.295 Da
  • Monoisotopic mass288.099762 Da
  • ChemSpider ID28639081

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-3-(2-Hydroxy-4-methoxyphenyl)-4,7-chromandiol [German] [ACD/IUPAC Name]
(3R,4R)-3-(2-Hydroxy-4-methoxyphenyl)-4,7-chromanediol [ACD/IUPAC Name]
(3R,4R)-3-(2-Hydroxy-4-méthoxyphényl)-4,7-chromanediol [French] [ACD/IUPAC Name]
(3R,4R)-7,2'-dihydroxy-4'-methoxyisoflavanol
2H-1-Benzopyran-4,7-diol, 3,4-dihydro-3-(2-hydroxy-4-methoxyphenyl)-, (3R,4R)- [ACD/Index Name]
(3R,4R)-3-(2-hydroxy-4-methoxyphenyl)chromane-4,7-diol
(3R,4R)-4'-methoxyisoflavan-2',4,7-triol
(3R,4R)-DMI
4'-methoxyisoflavan-2',4,7-triol
7,2'-dihydroxy-4'-methoxy-isoflavanol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 459.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 231.6±28.7 °C
Index of Refraction: 1.652
Molar Refractivity: 76.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.56
ACD/KOC (pH 5.5): 281.60
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.33
ACD/KOC (pH 7.4): 278.19
Polar Surface Area: 79 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 209.3±3.0 cm3

Click to predict properties on the Chemicalize site


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