ChemSpider 2D Image | (4,5-Dimethoxy-2-{[(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl]oxy}phenyl)methanol | C29H33NO7

(4,5-Dimethoxy-2-{[(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl]oxy}phenyl)methanol

  • Molecular FormulaC29H33NO7
  • Average mass507.575 Da
  • Monoisotopic mass507.225708 Da
  • ChemSpider ID4956793

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4,5-Dimethoxy-2-{[(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]chinolin-9-yl]oxy}phenyl)methanol [German] [ACD/IUPAC Name]
(4,5-Diméthoxy-2-{[(6aS)-1,2,10-triméthoxy-6-méthyl-5,6,6a,7-tétrahydro-4H-dibenzo[de,g]quinoléin-9-yl]oxy}phényl)méthanol [French] [ACD/IUPAC Name]
(4,5-Dimethoxy-2-{[(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl]oxy}phenyl)methanol [ACD/IUPAC Name]
Benzenemethanol, 4,5-dimethoxy-2-((5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-4H-dibenzo(de,g)quinolin-9-yl)oxy)-, (S)-
Benzenemethanol, 4,5-dimethoxy-2-[[(6aS)-5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-4H-dibenzo[de,g]quinolin-9-yl]oxy]- [ACD/Index Name]
62874-90-2 [RN]
Hernandalinol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 641.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 342.0±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 140.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 12.19
ACD/KOC (pH 5.5): 107.28
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 112.80
ACD/KOC (pH 7.4): 992.73
Polar Surface Area: 79 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 413.2±3.0 cm3

Click to predict properties on the Chemicalize site


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