ChemSpider 2D Image | (3R,5S)-1-[(2-Methyl-2-propanyl)sulfonyl]-5-(2-phenylethyl)-3-pyrrolidinol | C16H25NO3S

(3R,5S)-1-[(2-Methyl-2-propanyl)sulfonyl]-5-(2-phenylethyl)-3-pyrrolidinol

  • Molecular FormulaC16H25NO3S
  • Average mass311.440 Da
  • Monoisotopic mass311.155518 Da
  • ChemSpider ID30659054

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5S)-1-[(2-Methyl-2-propanyl)sulfonyl]-5-(2-phenylethyl)-3-pyrrolidinol [German] [ACD/IUPAC Name]
(3R,5S)-1-[(2-Methyl-2-propanyl)sulfonyl]-5-(2-phenylethyl)-3-pyrrolidinol [ACD/IUPAC Name]
(3R,5S)-1-[(2-Méthyl-2-propanyl)sulfonyl]-5-(2-phényléthyl)-3-pyrrolidinol [French] [ACD/IUPAC Name]
3-Pyrrolidinol, 1-[(1,1-dimethylethyl)sulfonyl]-5-(2-phenylethyl)-, (3R,5S)- [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: 450.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 226.3±31.5 °C
Index of Refraction: 1.568
Molar Refractivity: 85.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 114.75
ACD/KOC (pH 5.5): 1037.49
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 114.75
ACD/KOC (pH 7.4): 1037.49
Polar Surface Area: 66 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 260.4±5.0 cm3

Click to predict properties on the Chemicalize site


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