ChemSpider 2D Image | 5-{[(Cyclobutylcarbonyl)(tetrahydro-2-furanylmethyl)amino]methyl}-2-methoxyphenyl ethanesulfonate | C20H29NO6S

5-{[(Cyclobutylcarbonyl)(tetrahydro-2-furanylmethyl)amino]methyl}-2-methoxyphenyl ethanesulfonate

  • Molecular FormulaC20H29NO6S
  • Average mass411.512 Da
  • Monoisotopic mass411.171570 Da
  • ChemSpider ID21544366

More details:

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

5-{[(Cyclobutylcarbonyl)(tetrahydro-2-furanylmethyl)amino]methyl}-2-methoxyphenyl ethanesulfonate [ACD/IUPAC Name]
5-{[(Cyclobutylcarbonyl)(tetrahydro-2-furanylmethyl)amino]methyl}-2-methoxyphenyl-ethansulfonat [German] [ACD/IUPAC Name]
Éthanesulfonate de 5-{[(cyclobutylcarbonyl)(tétrahydro-2-furanylméthyl)amino]méthyl}-2-méthoxyphényle [French] [ACD/IUPAC Name]
Ethanesulfonic acid, 5-[[(cyclobutylcarbonyl)[(tetrahydro-2-furanyl)methyl]amino]methyl]-2-methoxyphenyl ester [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: 613.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 324.7±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 105.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 22.14
ACD/KOC (pH 5.5): 319.56
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 22.14
ACD/KOC (pH 7.4): 319.56
Polar Surface Area: 91 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 328.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement