ChemSpider 2D Image | (1beta)-5-Bromo-6,6',7,12-tetramethoxy-1,1',2,2'-tetramethylberbaman | C40H45BrN2O6

(1β)-5-Bromo-6,6',7,12-tetramethoxy-1,1',2,2'-tetramethylberbaman

  • Molecular FormulaC40H45BrN2O6
  • Average mass729.699 Da
  • Monoisotopic mass728.246094 Da
  • ChemSpider ID28477069

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1β)-5-Brom-6,6',7,12-tetramethoxy-1,1',2,2'-tetramethylberbaman [German] [ACD/IUPAC Name]
(1β)-5-Bromo-6,6',7,12-tetramethoxy-1,1',2,2'-tetramethylberbaman [ACD/IUPAC Name]
(1β)-5-Bromo-6,6',7,12-tétraméthoxy-1,1',2,2'-tétraméthylberbaman [French] [ACD/IUPAC 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: 744.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 404.3±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 195.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 10.15
ACD/KOC (pH 5.5): 21.33
ACD/LogD (pH 7.4): 5.38
ACD/BCF (pH 7.4): 5261.29
ACD/KOC (pH 7.4): 11054.45
Polar Surface Area: 62 Å2
Polarizability: 77.3±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 576.8±3.0 cm3

Click to predict properties on the Chemicalize site


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