ChemSpider 2D Image | 5,6,6',7,12-Pentamethoxy-2-methyl-1',2'-didehydroberbaman | C38H40N2O7

5,6,6',7,12-Pentamethoxy-2-methyl-1',2'-didehydroberbaman

  • Molecular FormulaC38H40N2O7
  • Average mass636.733 Da
  • Monoisotopic mass636.283569 Da
  • ChemSpider ID432884

More details:






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

5,6,6',7,12-Pentamethoxy-2-methyl-1',2'-didehydroberbaman [ACD/IUPAC Name]
5,6,6',7,12-Pentamethoxy-2-methyl-1',2'-didehydroberbaman [German] [ACD/IUPAC Name]
5,6,6',7,12-Pentaméthoxy-2-méthyl-1',2'-didéhydroberbaman [French] [ACD/IUPAC Name]
Thalcimine
Thalsimine

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

AIDS132523 [DBID]
AIDS-132523 [DBID]
NSC626651 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 750.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 407.9±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 175.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 19.96
ACD/KOC (pH 5.5): 99.66
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 732.92
ACD/KOC (pH 7.4): 3658.75
Polar Surface Area: 80 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 43.4±7.0 dyne/cm
Molar Volume: 499.1±7.0 cm3

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