ChemSpider 2D Image | (1R,3S,3aR,8bR)-6,8-Dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-1,2,3,3a-tetrahydro-8bH-benzo[b]cyclopenta[d]furan-1,8b-diol | C26H26O6

(1R,3S,3aR,8bR)-6,8-Dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-1,2,3,3a-tetrahydro-8bH-benzo[b]cyclopenta[d]furan-1,8b-diol

  • Molecular FormulaC26H26O6
  • Average mass434.481 Da
  • Monoisotopic mass434.172943 Da
  • ChemSpider ID114815339

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,3S,3aR,8bR)-6,8-Dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-1,2,3,3a-tetrahydro-8bH-benzo[b]cyclopenta[d]furan-1,8b-diol [German] [ACD/IUPAC Name]
(1R,3S,3aR,8bR)-6,8-Dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-1,2,3,3a-tetrahydro-8bH-benzo[b]cyclopenta[d]furan-1,8b-diol [ACD/IUPAC Name]
(1R,3S,3aR,8bR)-6,8-Diméthoxy-3a-(4-méthoxyphényl)-3-phényl-1,2,3,3a-tétrahydro-8bH-benzo[b]cyclopenta[d]furane-1,8b-diol [French] [ACD/IUPAC Name]
8bH-Benzo[b]cyclopenta[d]furan-1,8b-diol, 1,2,3,3a-tetrahydro-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-, (1R,3S,3aR,8bR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 584.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 307.3±30.1 °C
Index of Refraction: 1.648
Molar Refractivity: 119.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 390.08
ACD/KOC (pH 5.5): 2490.87
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 390.07
ACD/KOC (pH 7.4): 2490.82
Polar Surface Area: 77 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 327.7±3.0 cm3

Click to predict properties on the Chemicalize site


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