ChemSpider 2D Image | (1beta)-7-Isopropoxy-6,6',12-trimethoxy-2,2'-dimethylberbaman | C40H46N2O6

(1β)-7-Isopropoxy-6,6',12-trimethoxy-2,2'-dimethylberbaman

  • Molecular FormulaC40H46N2O6
  • Average mass650.803 Da
  • Monoisotopic mass650.335571 Da
  • ChemSpider ID169452

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1β)-7-Isopropoxy-6,6',12-trimethoxy-2,2'-dimethylberbaman [ACD/IUPAC Name]
(1β)-7-Isopropoxy-6,6',12-trimethoxy-2,2'-dimethylberbaman [German] [ACD/IUPAC Name]
(1β)-7-Isopropoxy-6,6',12-triméthoxy-2,2'-diméthylberbaman [French] [ACD/IUPAC Name]
125247-70-3 [RN]
7-O-Ifc
7-O-Isopropyl fangchinoline

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

Density: 1.2±0.1 g/cm3
Boiling Point: 724.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 174.6±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 187.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 2.01
ACD/KOC (pH 5.5): 5.35
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 1809.23
ACD/KOC (pH 7.4): 4811.27
Polar Surface Area: 62 Å2
Polarizability: 74.3±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 564.5±3.0 cm3

Click to predict properties on the Chemicalize site


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