ChemSpider 2D Image | 2-Methyl-2-propanyl (2S,3S)-2-(3-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}propyl)-1-[(4-methylphenyl)sulfonyl]-3-pyrrolidinecarboxylate | C25H43NO5SSi

2-Methyl-2-propanyl (2S,3S)-2-(3-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}propyl)-1-[(4-methylphenyl)sulfonyl]-3-pyrrolidinecarboxylate

  • Molecular FormulaC25H43NO5SSi
  • Average mass497.763 Da
  • Monoisotopic mass497.263123 Da
  • ChemSpider ID30659208

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-2-(3-{[Diméthyl(2-méthyl-2-propanyl)silyl]oxy}propyl)-1-[(4-méthylphényl)sulfonyl]-3-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (2S,3S)-2-(3-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}propyl)-1-[(4-methylphenyl)sulfonyl]-3-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S,3S)-2-(3-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}propyl)-1-[(4-methylphenyl)sulfonyl]-3-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 2-[3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]propyl]-1-[(4-methylphenyl)sulfonyl]-, 1,1-dimethylethyl ester, (2S,3S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 531.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 275.2±32.9 °C
Index of Refraction: 1.503
Molar Refractivity: 137.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 5.99
ACD/BCF (pH 5.5): 21189.04
ACD/KOC (pH 5.5): 43472.69
ACD/LogD (pH 7.4): 5.99
ACD/BCF (pH 7.4): 21189.04
ACD/KOC (pH 7.4): 43472.69
Polar Surface Area: 81 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 465.8±3.0 cm3

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