ChemSpider 2D Image | 5-Oxo-1-(2-{[(tetrahydro-2H-pyran-4-ylmethyl)sulfonyl]amino}ethyl)-3-pyrrolidinecarboxylic acid | C13H22N2O6S

5-Oxo-1-(2-{[(tetrahydro-2H-pyran-4-ylmethyl)sulfonyl]amino}ethyl)-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC13H22N2O6S
  • Average mass334.389 Da
  • Monoisotopic mass334.119843 Da
  • ChemSpider ID67971671

More details:

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

3-Pyrrolidinecarboxylic acid, 5-oxo-1-[2-[[[(tetrahydro-2H-pyran-4-yl)methyl]sulfonyl]amino]ethyl]- [ACD/Index Name]
5-Oxo-1-(2-{[(tetrahydro-2H-pyran-4-ylmethyl)sulfonyl]amino}ethyl)-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
5-Oxo-1-(2-{[(tetrahydro-2H-pyran-4-ylmethyl)sulfonyl]amino}ethyl)-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
Acide 5-oxo-1-(2-{[(tétrahydro-2H-pyran-4-ylméthyl)sulfonyl]amino}éthyl)-3-pyrrolidinecarboxylique [French] [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: 602.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 97.9±6.0 kJ/mol
Flash Point: 318.1±34.3 °C
Index of Refraction: 1.547
Molar Refractivity: 78.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -1.49
ACD/LogD (pH 5.5): -2.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 246.0±3.0 cm3

Click to predict properties on the Chemicalize site


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