ChemSpider 2D Image | Methyl N-{(3S,4R)-4-[(4-methoxy-3-methylphenyl)sulfonyl]-1,1-dioxidotetrahydro-3-thiophenyl}glycinate | C15H21NO7S2

Methyl N-{(3S,4R)-4-[(4-methoxy-3-methylphenyl)sulfonyl]-1,1-dioxidotetrahydro-3-thiophenyl}glycinate

  • Molecular FormulaC15H21NO7S2
  • Average mass391.460 Da
  • Monoisotopic mass391.075928 Da
  • ChemSpider ID23399788

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Glycine, N-[(3S,4R)-tetrahydro-4-[(4-methoxy-3-methylphenyl)sulfonyl]-1,1-dioxido-3-thienyl]-, methyl ester [ACD/Index Name]
Methyl N-{(3S,4R)-4-[(4-methoxy-3-methylphenyl)sulfonyl]-1,1-dioxidotetrahydro-3-thiophenyl}glycinate [ACD/IUPAC Name]
Methyl N-{(3S,4R)-4-[(4-methoxy-3-methylphenyl)sulfonyl]-1,1-dioxidotetrahydrothiophen-3-yl}glycinate
Methyl-N-{(3S,4R)-4-[(4-methoxy-3-methylphenyl)sulfonyl]-1,1-dioxidotetrahydro-3-thiophenyl}glycinat [German] [ACD/IUPAC Name]
N-{(3S,4R)-4-[(4-Méthoxy-3-méthylphényl)sulfonyl]-1,1-dioxydotétrahydro-3-thiophényl}glycinate de méthyle [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: 649.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 346.3±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 91.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.73
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.26
ACD/KOC (pH 5.5): 40.97
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.26
ACD/KOC (pH 7.4): 41.09
Polar Surface Area: 133 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 275.0±5.0 cm3

Click to predict properties on the Chemicalize site


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