ChemSpider 2D Image | (1beta,1'beta)-5,6,6',7,12-Pentamethoxy-2,2'-dimethylberbaman | C39H44N2O7

(1β,1'β)-5,6,6',7,12-Pentamethoxy-2,2'-dimethylberbaman

  • Molecular FormulaC39H44N2O7
  • Average mass652.776 Da
  • Monoisotopic mass652.314880 Da
  • ChemSpider ID21531717

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1β,1'β)-5,6,6',7,12-Pentamethoxy-2,2'-dimethylberbaman [ACD/IUPAC Name]
(1β,1'β)-5,6,6',7,12-Pentamethoxy-2,2'-dimethylberbaman [German] [ACD/IUPAC Name]
(1β,1'β)-5,6,6',7,12-Pentaméthoxy-2,2'-diméthylberbaman [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 732.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 178.9±30.1 °C
Index of Refraction: 1.580
Molar Refractivity: 184.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.52
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 349.47
ACD/KOC (pH 7.4): 1590.03
Polar Surface Area: 71 Å2
Polarizability: 73.3±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 555.1±3.0 cm3

Click to predict properties on the Chemicalize site


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