ChemSpider 2D Image | 4-[(2S,3R,4S,5R)-5-(3,4-Dimethoxyphenyl)-3,4-dimethyltetrahydro-2-furanyl]-2-methoxyphenol | C21H26O5

4-[(2S,3R,4S,5R)-5-(3,4-Dimethoxyphenyl)-3,4-dimethyltetrahydro-2-furanyl]-2-methoxyphenol

  • Molecular FormulaC21H26O5
  • Average mass358.428 Da
  • Monoisotopic mass358.178009 Da
  • ChemSpider ID31126536

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4-[(2S,3R,4S,5R)-5-(3,4-Dimethoxyphenyl)-3,4-dimethyltetrahydro-2-furanyl]-2-methoxyphenol [German] [ACD/IUPAC Name]
4-[(2S,3R,4S,5R)-5-(3,4-Dimethoxyphenyl)-3,4-dimethyltetrahydro-2-furanyl]-2-methoxyphenol [ACD/IUPAC Name]
4-[(2S,3R,4S,5R)-5-(3,4-Diméthoxyphényl)-3,4-diméthyltétrahydro-2-furanyl]-2-méthoxyphénol [French] [ACD/IUPAC Name]
Phenol, 4-[(2S,3R,4S,5R)-5-(3,4-dimethoxyphenyl)tetrahydro-3,4-dimethyl-2-furanyl]-2-methoxy- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 492.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 251.8±28.7 °C
Index of Refraction: 1.542
Molar Refractivity: 100.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 544.54
ACD/KOC (pH 5.5): 3162.65
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 542.88
ACD/KOC (pH 7.4): 3152.97
Polar Surface Area: 57 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 318.5±3.0 cm3

Click to predict properties on the Chemicalize site


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