ChemSpider 2D Image | 6-[(3R,4R)-3,4-Dimethyl-5-(3,4,5-trimethoxyphenyl)tetrahydro-2-furanyl]-4-methoxy-1,3-benzodioxole | C23H28O7

6-[(3R,4R)-3,4-Dimethyl-5-(3,4,5-trimethoxyphenyl)tetrahydro-2-furanyl]-4-methoxy-1,3-benzodioxole

  • Molecular FormulaC23H28O7
  • Average mass416.464 Da
  • Monoisotopic mass416.183502 Da
  • ChemSpider ID26949238

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

1,3-Benzodioxole, 4-methoxy-6-[(3R,4R)-tetrahydro-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)-2-furanyl]- [ACD/Index Name]
6-[(3R,4R)-3,4-Dimethyl-5-(3,4,5-trimethoxyphenyl)tetrahydro-2-furanyl]-4-methoxy-1,3-benzodioxol [German] [ACD/IUPAC Name]
6-[(3R,4R)-3,4-Dimethyl-5-(3,4,5-trimethoxyphenyl)tetrahydro-2-furanyl]-4-methoxy-1,3-benzodioxole [ACD/IUPAC Name]
6-[(3R,4R)-3,4-Diméthyl-5-(3,4,5-triméthoxyphényl)tétrahydro-2-furanyl]-4-méthoxy-1,3-benzodioxole [French] [ACD/IUPAC Name]
rel-(7R,8R,7'R,8'R)-3',4'-Methylenedioxy-3,4,5,5'-tetramethoxy-7,7'-epoxylignan

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

Density: 1.2±0.1 g/cm3
Boiling Point: 511.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 203.4±30.0 °C
Index of Refraction: 1.539
Molar Refractivity: 111.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 274.55
ACD/KOC (pH 5.5): 1937.20
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 274.55
ACD/KOC (pH 7.4): 1937.20
Polar Surface Area: 65 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 355.3±3.0 cm3

Click to predict properties on the Chemicalize site


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