ChemSpider 2D Image | (1beta,1'beta)-6,6',7,12-Tetramethoxy-2,2'-dimethylberbaman | C38H42N2O6

(1β,1'β)-6,6',7,12-Tetramethoxy-2,2'-dimethylberbaman

  • Molecular FormulaC38H42N2O6
  • Average mass622.750 Da
  • Monoisotopic mass622.304260 Da
  • ChemSpider ID4508262
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1β,1'β)-6,6',7,12-Tetramethoxy-2,2'-dimethylberbaman [ACD/IUPAC Name]
(1β,1'β)-6,6',7,12-Tetramethoxy-2,2'-dimethylberbaman [German] [ACD/IUPAC Name]
(1β,1'β)-6,6',7,12-Tétraméthoxy-2,2'-diméthylberbaman [French] [ACD/IUPAC Name]
(+)-isotetrandrine
1-Isotetrandrine
477-57-6 [RN]
Berbaman, 6,6',7,12-tetramethoxy-2, 2'-dimethyl-
Berbaman, 6,6',7,12-tetramethoxy-2,2'-dimethyl-
Isotetandrine
ISOTETRANDRINE

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

NCI60_042171 [DBID]
NSC97338 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 710.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 175.8±30.1 °C
Index of Refraction: 1.586
Molar Refractivity: 178.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.35
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 563.07
ACD/KOC (pH 7.4): 2095.63
Polar Surface Area: 62 Å2
Polarizability: 70.6±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 531.1±3.0 cm3

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