ChemSpider 2D Image | (2S,2'S)-2,2'-[Methylenebis(oxymethylene)]bis{1-[(4-methylphenyl)sulfonyl]pyrrolidine} | C25H34N2O6S2

(2S,2'S)-2,2'-[Methylenebis(oxymethylene)]bis{1-[(4-methylphenyl)sulfonyl]pyrrolidine}

  • Molecular FormulaC25H34N2O6S2
  • Average mass522.677 Da
  • Monoisotopic mass522.185852 Da
  • ChemSpider ID8228025
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S,2'S)-2,2'-[Methylenbis(oxymethylen)]bis{1-[(4-methylphenyl)sulfonyl]pyrrolidin} [German] [ACD/IUPAC Name]
(2S,2'S)-2,2'-[Methylenebis(oxymethylene)]bis{1-[(4-methylphenyl)sulfonyl]pyrrolidine} [ACD/IUPAC Name]
(2S,2'S)-2,2'-[Méthylènebis(oxyméthylène)]bis{1-[(4-méthylphényl)sulfonyl]pyrrolidine} [French] [ACD/IUPAC Name]
Pyrrolidine, 2,2'-[methylenebis(oxymethylene)]bis[1-[(4-methylphenyl)sulfonyl]-, (2S,2'S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 651.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 347.5±34.3 °C
Index of Refraction: 1.581
Molar Refractivity: 136.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 425.08
ACD/KOC (pH 5.5): 2648.90
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 425.08
ACD/KOC (pH 7.4): 2648.90
Polar Surface Area: 110 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 409.5±3.0 cm3

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