ChemSpider 2D Image | 6,6',7,12-Tetramethoxy-2-methyl-1',2'-didehydroberbaman | C37H38N2O6

6,6',7,12-Tetramethoxy-2-methyl-1',2'-didehydroberbaman

  • Molecular FormulaC37H38N2O6
  • Average mass606.707 Da
  • Monoisotopic mass606.273010 Da
  • ChemSpider ID167458

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

6,6',7,12-Tetramethoxy-2-methyl-1',2'-didehydroberbaman [ACD/IUPAC Name]
6,6',7,12-Tetramethoxy-2-methyl-1',2'-didehydroberbaman [German] [ACD/IUPAC Name]
6,6',7,12-Tétraméthoxy-2-méthyl-1',2'-didéhydroberbaman [French] [ACD/IUPAC Name]
16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido(2',3':17,18)(1,11)dioxacycloeicosino(2,3,4-ij)isoquinoline, 3,5,16a,17,18,19-hexahydro-12,21,22,26-tetramethoxy-17-methyl-, (R)-
19634-27-6 [RN]
Dehatrine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 729.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 394.7±32.9 °C
Index of Refraction: 1.629
Molar Refractivity: 169.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 17.89
ACD/KOC (pH 5.5): 72.58
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1210.01
ACD/KOC (pH 7.4): 4909.67
Polar Surface Area: 71 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 477.5±7.0 cm3

Click to predict properties on the Chemicalize site


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