ChemSpider 2D Image | (3R,4aR,5aS,7S,8S,9aR,9bR)-3,8-Dibromo-7-chloro-2,2,7,9b-tetramethyloctahydro-2H-pyrano[3,2-b][1]benzofuran-4a(5aH)-ol | C15H23Br2ClO3

(3R,4aR,5aS,7S,8S,9aR,9bR)-3,8-Dibromo-7-chloro-2,2,7,9b-tetramethyloctahydro-2H-pyrano[3,2-b][1]benzofuran-4a(5aH)-ol

  • Molecular FormulaC15H23Br2ClO3
  • Average mass446.602 Da
  • Monoisotopic mass443.970245 Da
  • ChemSpider ID35517116

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3R,4aR,5aS,7S,8S,9aR,9bR)-3,8-Dibrom-7-chlor-2,2,7,9b-tetramethyloctahydro-2H-pyrano[3,2-b][1]benzofuran-4a(5aH)-ol [German] [ACD/IUPAC Name]
(3R,4aR,5aS,7S,8S,9aR,9bR)-3,8-Dibromo-7-chloro-2,2,7,9b-tetramethyloctahydro-2H-pyrano[3,2-b][1]benzofuran-4a(5aH)-ol [ACD/IUPAC Name]
(3R,4aR,5aS,7S,8S,9aR,9bR)-3,8-Dibromo-7-chloro-2,2,7,9b-tétraméthyloctahydro-2H-pyrano[3,2-b][1]benzofuran-4a(5aH)-ol [French] [ACD/IUPAC Name]
2H-Pyrano[3,2-b]benzofuran-4a(5aH)-ol, 3,8-dibromo-7-chlorooctahydro-2,2,7,9b-tetramethyl-, (3R,4aR,5aS,7S,8S,9aR,9bR)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 465.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.8±6.0 kJ/mol
Flash Point: 235.0±28.7 °C
Index of Refraction: 1.582
Molar Refractivity: 90.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 628.57
ACD/KOC (pH 5.5): 3504.79
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 628.52
ACD/KOC (pH 7.4): 3504.52
Polar Surface Area: 39 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 49.8±5.0 dyne/cm
Molar Volume: 271.6±5.0 cm3

Click to predict properties on the Chemicalize site


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