ChemSpider 2D Image | 6-[(1R,3aR,4S,6aR)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-4-methoxy-1,3-benzodioxole | C22H24O7

6-[(1R,3aR,4S,6aR)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-4-methoxy-1,3-benzodioxole

  • Molecular FormulaC22H24O7
  • Average mass400.422 Da
  • Monoisotopic mass400.152191 Da
  • ChemSpider ID62810530

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,3-Benzodioxole, 6-[(1R,3aR,4S,6aR)-4-(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-4-methoxy- [ACD/Index Name]
6-[(1R,3aR,4S,6aR)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-4-methoxy-1,3-benzodioxol [German] [ACD/IUPAC Name]
6-[(1R,3aR,4S,6aR)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-4-methoxy-1,3-benzodioxole [ACD/IUPAC Name]
6-[(1R,3aR,4S,6aR)-4-(3,4-Diméthoxyphényl)tétrahydro-1H,3H-furo[3,4-c]furan-1-yl]-4-méthoxy-1,3-benzodioxole [French] [ACD/IUPAC Name]
3,4,5'-Trimethoxy-3',4'-methylenedioxy-7,9':7',9-diepoxylignan
6-[(3S,3aR,6R,6aR)-3-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-4-methoxy-1,3-benzodioxole
873867-94-8 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 527.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 215.6±30.0 °C
Index of Refraction: 1.571
Molar Refractivity: 104.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.15
ACD/KOC (pH 5.5): 548.88
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.15
ACD/KOC (pH 7.4): 548.88
Polar Surface Area: 65 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 316.6±3.0 cm3

Click to predict properties on the Chemicalize site


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