ChemSpider 2D Image | (1beta)-6,6',7,12-Tetramethoxy-2,2'-dimethylberbaman-2,2'-diium | C38H44N2O6

(1β)-6,6',7,12-Tetramethoxy-2,2'-dimethylberbaman-2,2'-diium

  • Molecular FormulaC38H44N2O6
  • Average mass624.765 Da
  • Monoisotopic mass624.318848 Da
  • ChemSpider ID10044743
  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1β)-6,6',7,12-Tetramethoxy-2,2'-dimethylberbaman-2,2'-diium [ACD/IUPAC Name]
(1β)-6,6',7,12-Tetramethoxy-2,2'-dimethylberbaman-2,2'-diium [German] [ACD/IUPAC Name]
(1β)-6,6',7,12-Tétraméthoxy-2,2'-diméthylberbaman-2,2'-diium [French] [ACD/IUPAC Name]

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

ZINC03977758 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 710.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 175.8±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.35
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 563.07
ACD/KOC (pH 7.4): 2095.63
Polar Surface Area: 64 Å2
Polarizability:
Surface Tension:
Molar Volume:

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