ChemSpider 2D Image | Rodiasine | C38H42N2O6

Rodiasine

  • Molecular FormulaC38H42N2O6
  • Average mass622.750 Da
  • Monoisotopic mass622.304260 Da
  • ChemSpider ID390797
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

Rodiasin [German] [ACD/IUPAC Name]
Rodiasine [ACD/IUPAC Name]
Rodiasine [French] [ACD/IUPAC Name]
6391-64-6 [RN]

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

C09624 [DBID]
CHEBI:8886 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 745.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 404.6±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 178.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 3.41
ACD/KOC (pH 5.5): 12.90
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 1347.48
ACD/KOC (pH 7.4): 5098.14
Polar Surface Area: 73 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 520.8±3.0 cm3

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