ChemSpider 2D Image | daphnoline | C35H36N2O6

daphnoline

  • Molecular FormulaC35H36N2O6
  • Average mass580.670 Da
  • Monoisotopic mass580.257324 Da
  • ChemSpider ID229561

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

479-36-7 [RN]
6,6'-Dimethoxy-2-methyloxyacanthan-7,12'-diol [ACD/IUPAC Name]
6,6'-Dimethoxy-2-methyloxyacanthan-7,12'-diol [German] [ACD/IUPAC Name]
6,6'-Diméthoxy-2-méthyloxyacanthan-7,12'-diol [French] [ACD/IUPAC Name]
daphnoline
Daphnoline (R,S)
Trilobamine

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

1I098GKO6U [DBID]
C09418 [DBID]
NSC93673 [DBID]
UNII:1I098GKO6U [DBID]
UNII-1I098GKO6U [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 717.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 387.9±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 163.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 3.22
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 16.91
ACD/KOC (pH 7.4): 112.81
Polar Surface Area: 93 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 465.0±3.0 cm3

Click to predict properties on the Chemicalize site


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