ChemSpider 2D Image | FL3 | C25H23BrO5

FL3

  • Molecular FormulaC25H23BrO5
  • Average mass483.351 Da
  • Monoisotopic mass482.072876 Da
  • ChemSpider ID24623199
  • 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-(4-Bromophenyl)-6,8-dimethoxy-3-phenyl-1,2,3,3a-tetrahydro-8bH-benzo[b]cyclopenta[d]furan-1,8b-diol [ACD/IUPAC Name]
(1R,3S,3aR,8bS)-3a-(4-Bromophényl)-6,8-diméthoxy-3-phényl-1,2,3,3a-tétrahydro-8bH-benzo[b]cyclopenta[d]furane-1,8b-diol [French] [ACD/IUPAC Name]
(1R,3S,3aR,8bS)-3a-(4-Bromophenyl)-6,8-dimethoxy-3-phenyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-1,8b-diol
(1R,3S,3aR,8bS)-3a-(4-Bromphenyl)-6,8-dimethoxy-3-phenyl-1,2,3,3a-tetrahydro-8bH-benzo[b]cyclopenta[d]furan-1,8b-diol [German] [ACD/IUPAC Name]
8bH-Benzo[b]cyclopenta[d]furan-1,8b-diol, 3a-(4-bromophenyl)-1,2,3,3a-tetrahydro-6,8-dimethoxy-3-phenyl-, (1R,3S,3aR,8bS)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 588.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 309.5±30.1 °C
Index of Refraction: 1.675
Molar Refractivity: 120.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1962.56
ACD/KOC (pH 5.5): 7917.71
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1962.51
ACD/KOC (pH 7.4): 7917.52
Polar Surface Area: 68 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 319.9±3.0 cm3

Click to predict properties on the Chemicalize site





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