ChemSpider 2D Image | Benzyl (3S)-3-{[(methylsulfonyl)oxy]methyl}-1-pyrrolidinecarboxylate | C14H19NO5S

Benzyl (3S)-3-{[(methylsulfonyl)oxy]methyl}-1-pyrrolidinecarboxylate

  • Molecular FormulaC14H19NO5S
  • Average mass313.369 Da
  • Monoisotopic mass313.098389 Da
  • ChemSpider ID32796723

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-{[(Méthylsulfonyl)oxy]méthyl}-1-pyrrolidinecarboxylate de benzyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 3-[[(methylsulfonyl)oxy]methyl]-, phenylmethyl ester, (3S)- [ACD/Index Name]
Benzyl (3S)-3-{[(methylsulfonyl)oxy]methyl}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
Benzyl-(3S)-3-{[(methylsulfonyl)oxy]methyl}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
405090-10-0 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 489.4±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 249.8±24.0 °C
Index of Refraction: 1.555
Molar Refractivity: 78.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.04
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.93
ACD/KOC (pH 5.5): 217.44
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.93
ACD/KOC (pH 7.4): 217.44
Polar Surface Area: 81 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 243.1±3.0 cm3

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