ChemSpider 2D Image | (1S,2S)-Trost ligand | C44H40N2O2P2

(1S,2S)-Trost ligand

  • Molecular FormulaC44H40N2O2P2
  • Average mass690.748 Da
  • Monoisotopic mass690.256531 Da
  • ChemSpider ID9138733
  • defined stereocentres - 2 of 2 defined stereocentres


More details:



Featured data source



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

(1S,2S)-Trost ligand
Benzamide, N,N'-(1S,2S)-1,2-cyclohexanediylbis[2-(diphenylphosphino)- [ACD/Index Name]
N,N'-(1S,2S)-1,2-Cyclohexandiylbis[2-(diphenylphosphino)benzamid] [German] [ACD/IUPAC Name]
N,N'-(1S,2S)-1,2-Cyclohexanediylbis[2-(diphenylphosphino)benzamide] [ACD/IUPAC Name]
N,N'-(1S,2S)-1,2-Cyclohexanediylbis[2-(diphénylphosphino)benzamide] [French] [ACD/IUPAC Name]
Trost ligand [Wiki]
Trost's ligand
(1s,2s)-(-)-1,2-diaminocyclohexane-n,n'-bis(2'-dephenylphosphinobenzoyl)
(1S,2S)-(-)-1,2-DIAMINOCYCLOHEXANE-N,N'-BIS(2'-DIPHENYLPHOSPHINOBENZOYL)
169689-05-8 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 817.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 447.9±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 9.87
ACD/LogD (pH 5.5): 8.25
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 728967.38
ACD/LogD (pH 7.4): 8.25
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 728966.56
Polar Surface Area: 85 Å2
Polarizability:
Surface Tension:
Molar Volume:

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