ChemSpider 2D Image | (1S,3aR,4R,6aR)-1-(3,4-Dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan | C23H28O7

(1S,3aR,4R,6aR)-1-(3,4-Dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan

  • Molecular FormulaC23H28O7
  • Average mass416.464 Da
  • Monoisotopic mass416.183502 Da
  • ChemSpider ID29775532
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

(1S,3aR,4R,6aR)-1-(3,4-Dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan [German] [ACD/IUPAC Name]
(1S,3aR,4R,6aR)-1-(3,4-Dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan [ACD/IUPAC Name]
(1S,3aR,4R,6aR)-1-(3,4-Diméthoxyphényl)-4-(3,4,5-triméthoxyphényl)tétrahydro-1H,3H-furo[3,4-c]furane [French] [ACD/IUPAC Name]
1H,3H-Furo[3,4-c]furan, 1-(3,4-dimethoxyphenyl)tetrahydro-4-(3,4,5-trimethoxyphenyl)-, (1S,3aR,4R,6aR)- [ACD/Index Name]
31008-18-1 [RN]
magnolin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 536.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 215.6±30.0 °C
Index of Refraction: 1.542
Molar Refractivity: 111.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 115.32
ACD/KOC (pH 5.5): 1041.20
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 115.32
ACD/KOC (pH 7.4): 1041.20
Polar Surface Area: 65 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 353.4±3.0 cm3

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