ChemSpider 2D Image | 6,6',7-Trimethoxy-2'-methyl-1,2-didehydrooxyacanthan-12'-ol | C36H36N2O6

6,6',7-Trimethoxy-2'-methyl-1,2-didehydrooxyacanthan-12'-ol

  • Molecular FormulaC36H36N2O6
  • Average mass592.681 Da
  • Monoisotopic mass592.257324 Da
  • ChemSpider ID248335

More details:

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

6,6',7-Trimethoxy-2'-methyl-1,2-didehydrooxyacanthan-12'-ol [ACD/IUPAC Name]
6,6',7-Trimethoxy-2'-methyl-1,2-didehydrooxyacanthan-12'-ol [German] [ACD/IUPAC Name]
6,6',7-Triméthoxy-2'-méthyl-1,2-didéhydrooxyacanthan-12'-ol [French] [ACD/IUPAC Name]
2H-1,24:12,15-DIETHENO-6,10-METHENO-16H-PYRIDO[2',3':17,18][1,10]DIOXACYCLOEICOSINO[2,3,4-IJ]ISOQUINOLIN-9-OL,3,4,4A,5,18,19-HEXAHYDRO-21,22,26-TRIMETHOXY-4-METHYL-, (4AR)- (9CI)
33116-41-5 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL502779/
HYPOEPISTEPHANINE
Hypopistephanine

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

NSC135070 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 739.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 400.7±32.9 °C
Index of Refraction: 1.647
Molar Refractivity: 164.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 4.69
ACD/KOC (pH 5.5): 22.11
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 456.92
ACD/KOC (pH 7.4): 2154.32
Polar Surface Area: 82 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 453.1±7.0 cm3

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