ChemSpider 2D Image | 2-Methyl-2-propanyl (2S,4S)-4-{[(4-methylphenyl)sulfonyl]oxy}-2-({[(4-methylphenyl)sulfonyl]oxy}methyl)-1-pyrrolidinecarboxylate | C24H31NO8S2

2-Methyl-2-propanyl (2S,4S)-4-{[(4-methylphenyl)sulfonyl]oxy}-2-({[(4-methylphenyl)sulfonyl]oxy}methyl)-1-pyrrolidinecarboxylate

  • Molecular FormulaC24H31NO8S2
  • Average mass525.635 Da
  • Monoisotopic mass525.149109 Da
  • ChemSpider ID12283821

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4S)-4-{[(4-Méthylphényl)sulfonyl]oxy}-2-({[(4-méthylphényl)sulfonyl]oxy}méthyl)-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 4-[[(4-methylphenyl)sulfonyl]oxy]-2-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, 1,1-dimethylethyl ester, (2S,4S)- [ACD/Index Name]
2-Methyl-2-propanyl (2S,4S)-4-{[(4-methylphenyl)sulfonyl]oxy}-2-({[(4-methylphenyl)sulfonyl]oxy}methyl)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S,4S)-4-{[(4-methylphenyl)sulfonyl]oxy}-2-({[(4-methylphenyl)sulfonyl]oxy}methyl)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 654.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 349.6±30.1 °C
Index of Refraction: 1.596
Molar Refractivity: 131.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 584.13
ACD/KOC (pH 5.5): 3325.60
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 584.13
ACD/KOC (pH 7.4): 3325.60
Polar Surface Area: 133 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 387.2±5.0 cm3

Click to predict properties on the Chemicalize site


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