ChemSpider 2D Image | (1R,3S,3aR,8bS)-3a-(1,3-Benzodioxol-5-yl)-6,8,8b-trimethoxy-3-phenyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-1-ol | C27H26O7

(1R,3S,3aR,8bS)-3a-(1,3-Benzodioxol-5-yl)-6,8,8b-trimethoxy-3-phenyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-1-ol

  • Molecular FormulaC27H26O7
  • Average mass462.491 Da
  • Monoisotopic mass462.167847 Da
  • ChemSpider ID29416382

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,3S,3aR,8bS)-3a-(1,3-Benzodioxol-5-yl)-6,8,8b-trimethoxy-3-phenyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-1-ol [German] [ACD/IUPAC Name]
(1R,3S,3aR,8bS)-3a-(1,3-Benzodioxol-5-yl)-6,8,8b-trimethoxy-3-phenyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-1-ol [ACD/IUPAC Name]
(1R,3S,3aR,8bS)-3a-(1,3-Benzodioxol-5-yl)-6,8,8b-triméthoxy-3-phényl-2,3,3a,8b-tétrahydro-1H-benzo[b]cyclopenta[d]furan-1-ol [French] [ACD/IUPAC Name]
1H-Benzo[b]cyclopenta[d]furan-1-ol, 3a-(1,3-benzodioxol-5-yl)-2,3,3a,8b-tetrahydro-6,8,8b-trimethoxy-3-phenyl-, (1R,3S,3aR,8bS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 596.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 314.6±30.1 °C
Index of Refraction: 1.665
Molar Refractivity: 123.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 856.66
ACD/KOC (pH 5.5): 4374.28
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 856.66
ACD/KOC (pH 7.4): 4374.27
Polar Surface Area: 76 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 333.1±5.0 cm3

Click to predict properties on the Chemicalize site


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