ChemSpider 2D Image | 12-Hydroxy-6,6',7-trimethoxy-2,2'-dimethylberbaman-2,2'-diium | C37H42N2O6

12-Hydroxy-6,6',7-trimethoxy-2,2'-dimethylberbaman-2,2'-diium

  • Molecular FormulaC37H42N2O6
  • Average mass610.738 Da
  • Monoisotopic mass610.303162 Da
  • ChemSpider ID5422631

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

12-Hydroxy-6,6',7-trimethoxy-2,2'-dimethylberbaman-2,2'-diium [ACD/IUPAC Name]
12-Hydroxy-6,6',7-trimethoxy-2,2'-dimethylberbaman-2,2'-diium [German] [ACD/IUPAC Name]
12-Hydroxy-6,6',7-triméthoxy-2,2'-diméthylberbaman-2,2'-diium [French] [ACD/IUPAC Name]

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

ZINC03947609 [DBID]

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

Density:
Boiling Point: 707.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 381.4±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.31
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 520.83
ACD/KOC (pH 7.4): 2004.19
Polar Surface Area: 75 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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