ChemSpider 2D Image | 6',7,12-Trimethoxy-2,2'-dimethylberbaman-6-ol | C37H40N2O6

6',7,12-Trimethoxy-2,2'-dimethylberbaman-6-ol

  • Molecular FormulaC37H40N2O6
  • Average mass608.723 Da
  • Monoisotopic mass608.288635 Da
  • ChemSpider ID167148

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

6',7,12-Trimethoxy-2,2'-dimethylberbaman-6-ol [ACD/IUPAC Name]
6',7,12-Trimethoxy-2,2'-dimethylberbaman-6-ol [German] [ACD/IUPAC Name]
6',7,12-Triméthoxy-2,2'-diméthylberbaman-6-ol [French] [ACD/IUPAC Name]
berbaman-6-ol, 6',7,12-trimethoxy-2,2'-dimethyl-
152697-36-4 [RN]
Cycleabarbatine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 724.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 391.8±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 173.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.36
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 205.71
ACD/KOC (pH 7.4): 1043.00
Polar Surface Area: 73 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 505.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement