ChemSpider 2D Image | (1'alpha)-6,6',7-Trimethoxy-2,2'-dimethyloxyacanthan-5,12'-diol | C37H40N2O7

(1'α)-6,6',7-Trimethoxy-2,2'-dimethyloxyacanthan-5,12'-diol

  • Molecular FormulaC37H40N2O7
  • Average mass624.723 Da
  • Monoisotopic mass624.283569 Da
  • ChemSpider ID31147426

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1'α)-6,6',7-Trimethoxy-2,2'-dimethyloxyacanthan-5,12'-diol [German] [ACD/IUPAC Name]
(1'α)-6,6',7-Trimethoxy-2,2'-dimethyloxyacanthan-5,12'-diol [ACD/IUPAC Name]
(1'α)-6,6',7-Triméthoxy-2,2'-diméthyloxyacanthan-5,12'-diol [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: 732.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 396.5±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 175.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.06
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 161.94
ACD/KOC (pH 7.4): 981.19
Polar Surface Area: 93 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 504.0±3.0 cm3

Click to predict properties on the Chemicalize site


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