ChemSpider 2D Image | (1S,7R,8R)-1-(4-Methoxyphenyl)-8-methyl-4-oxa-3-thia-2-azabicyclo[5.1.0]octane 3,3-dioxide | C13H17NO4S

(1S,7R,8R)-1-(4-Methoxyphenyl)-8-methyl-4-oxa-3-thia-2-azabicyclo[5.1.0]octane 3,3-dioxide

  • Molecular FormulaC13H17NO4S
  • Average mass283.343 Da
  • Monoisotopic mass283.087830 Da
  • ChemSpider ID30660090

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,7R,8R)-1-(4-Methoxyphenyl)-8-methyl-4-oxa-3-thia-2-azabicyclo[5.1.0]octan-3,3-dioxid [German] [ACD/IUPAC Name]
(1S,7R,8R)-1-(4-Methoxyphenyl)-8-methyl-4-oxa-3-thia-2-azabicyclo[5.1.0]octane 3,3-dioxide [ACD/IUPAC Name]
3,3-Dioxyde de (1S,7R,8R)-1-(4-méthoxyphényl)-8-méthyl-4-oxa-3-thia-2-azabicyclo[5.1.0]octane [French] [ACD/IUPAC Name]
4-Oxa-3-thia-2-azabicyclo[5.1.0]octane, 1-(4-methoxyphenyl)-8-methyl-, 3,3-dioxide, (1S,7R,8R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 408.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.1±3.0 kJ/mol
Flash Point: 200.8±31.5 °C
Index of Refraction: 1.560
Molar Refractivity: 71.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.28
ACD/KOC (pH 5.5): 256.38
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 16.12
ACD/KOC (pH 7.4): 253.89
Polar Surface Area: 73 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 219.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement