ChemSpider 2D Image | 4-{2-Hydroxy-1-[(3R)-7-hydroxy-3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-3-(4-hydroxyphenyl)propyl}-1,3-benzenediol | C32H32O9

4-{2-Hydroxy-1-[(3R)-7-hydroxy-3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-3-(4-hydroxyphenyl)propyl}-1,3-benzenediol

  • Molecular FormulaC32H32O9
  • Average mass560.591 Da
  • Monoisotopic mass560.204651 Da
  • ChemSpider ID25035628
  • defined stereocentres - 1 of 3 defined stereocentres


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1,3-Benzenediol, 4-[1-[(3R)-3,4-dihydro-7-hydroxy-3-(2-hydroxy-3,4-dimethoxyphenyl)-2H-1-benzopyran-6-yl]-2-hydroxy-3-(4-hydroxyphenyl)propyl]- [ACD/Index Name]
4-{2-Hydroxy-1-[(3R)-7-hydroxy-3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-3-(4-hydroxyphenyl)propyl}-1,3-benzenediol [ACD/IUPAC Name]
4-{2-Hydroxy-1-[(3R)-7-hydroxy-3-(2-hydroxy-3,4-diméthoxyphényl)-3,4-dihydro-2H-chromén-6-yl]-3-(4-hydroxyphényl)propyl}-1,3-benzènediol [French] [ACD/IUPAC Name]
4-{2-Hydroxy-1-[(3R)-7-hydroxy-3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-3-(4-hydroxyphenyl)propyl}-1,3-benzoldiol [German] [ACD/IUPAC Name]
OXYTROPISOFLAVAN A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 748.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 406.5±32.9 °C
Index of Refraction: 1.676
Molar Refractivity: 151.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 218.49
ACD/KOC (pH 5.5): 1644.87
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 212.62
ACD/KOC (pH 7.4): 1600.65
Polar Surface Area: 149 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 67.3±3.0 dyne/cm
Molar Volume: 403.4±3.0 cm3

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