ChemSpider 2D Image | (6R,8aR)-2-Methyl-6-({[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}methyl)-8a-{[2-(trimethylsilyl)ethyl]sulfanyl}tetrahydropyrrolo[1,2-a]pyrazine-1,4,8(8aH)-trione | C30H42N2O4SSi2

(6R,8aR)-2-Methyl-6-({[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}methyl)-8a-{[2-(trimethylsilyl)ethyl]sulfanyl}tetrahydropyrrolo[1,2-a]pyrazine-1,4,8(8aH)-trione

  • Molecular FormulaC30H42N2O4SSi2
  • Average mass582.901 Da
  • Monoisotopic mass582.240356 Da
  • ChemSpider ID30658878

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6R,8aR)-2-Methyl-6-({[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}methyl)-8a-{[2-(trimethylsilyl)ethyl]sulfanyl}tetrahydropyrrolo[1,2-a]pyrazin-1,4,8(8aH)-trion [German] [ACD/IUPAC Name]
(6R,8aR)-2-Methyl-6-({[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}methyl)-8a-{[2-(trimethylsilyl)ethyl]sulfanyl}tetrahydropyrrolo[1,2-a]pyrazine-1,4,8(8aH)-trione [ACD/IUPAC Name]
(6R,8aR)-2-Méthyl-6-({[(2-méthyl-2-propanyl)(diphényl)silyl]oxy}méthyl)-8a-{[2-(triméthylsilyl)éthyl]sulfanyl}tétrahydropyrrolo[1,2-a]pyrazine-1,4,8(8aH)-trione [French] [ACD/IUPAC Name]
Pyrrolo[1,2-a]pyrazine-1,4,8(8aH)-trione, 6-[[[(1,1-dimethylethyl)diphenylsilyl]oxy]methyl]tetrahydro-2-methyl-8a-[[2-(trimethylsilyl)ethyl]thio]-, (6R,8aR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 673.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 361.1±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 166.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.88
ACD/LogD (pH 5.5): 6.56
ACD/BCF (pH 5.5): 56589.53
ACD/KOC (pH 5.5): 87819.34
ACD/LogD (pH 7.4): 6.56
ACD/BCF (pH 7.4): 56589.53
ACD/KOC (pH 7.4): 87819.34
Polar Surface Area: 92 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 500.2±5.0 cm3

Click to predict properties on the Chemicalize site


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