ChemSpider 2D Image | (-)-pinoresinol | C20H22O6

(-)-pinoresinol

  • Molecular FormulaC20H22O6
  • Average mass358.385 Da
  • Monoisotopic mass358.141632 Da
  • ChemSpider ID23283151

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(-)-pinoresinol
4,4'-(1R,3aS,4R,6aS)-Tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diylbis(2-methoxyphenol) [ACD/IUPAC Name]
4,4'-(1R,3aS,4R,6aS)-Tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diylbis(2-methoxyphenol) [German] [ACD/IUPAC Name]
4,4'-(1R,3aS,4R,6aS)-Tétrahydro-1H,3H-furo[3,4-c]furane-1,4-diylbis(2-méthoxyphénol) [French] [ACD/IUPAC Name]
Phenol, 4,4'-[(1R,3aS,4R,6aS)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis[2-methoxy- [ACD/Index Name]
Pinoresinol
(��)-Pinoresinol
(+)-1-hydroxypinoresinol
(7β,7'β,8β,8'β)-3,3'-dimethoxy-7,9':7',9-diepoxylignane-4,4'-diol
4-[(3R,3aS,6R,6aS)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
More...

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

Density: 1.3±0.1 g/cm3
Boiling Point: 556.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 290.4±30.1 °C
Index of Refraction: 1.598
Molar Refractivity: 94.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.39
ACD/KOC (pH 5.5): 257.59
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.27
ACD/KOC (pH 7.4): 255.74
Polar Surface Area: 77 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 278.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement