ChemSpider 2D Image | (3R,6S,7aS)-3-Phenyl-6-(phenylsulfanyl)tetrahydro-5H-pyrrolo[1,2-c][1,3]oxazol-5-one | C18H17NO2S

(3R,6S,7aS)-3-Phenyl-6-(phenylsulfanyl)tetrahydro-5H-pyrrolo[1,2-c][1,3]oxazol-5-one

  • Molecular FormulaC18H17NO2S
  • Average mass311.398 Da
  • Monoisotopic mass311.097992 Da
  • ChemSpider ID24742074

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,6S,7aS)-3-Phenyl-6-(phenylsulfanyl)tetrahydro-5H-pyrrolo[1,2-c][1,3]oxazol-5-on [German] [ACD/IUPAC Name]
(3R,6S,7aS)-3-Phenyl-6-(phenylsulfanyl)tetrahydro-5H-pyrrolo[1,2-c][1,3]oxazol-5-one [ACD/IUPAC Name]
(3R,6S,7aS)-3-Phényl-6-(phénylsulfanyl)tétrahydro-5H-pyrrolo[1,2-c][1,3]oxazol-5-one [French] [ACD/IUPAC Name]
3H,5H-Pyrrolo[1,2-c]oxazol-5-one, tetrahydro-3-phenyl-6-(phenylthio)-, (3R,6S,7aS)- [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: 520.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 268.7±30.1 °C
Index of Refraction: 1.675
Molar Refractivity: 88.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 132.59
ACD/KOC (pH 5.5): 1150.54
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 132.59
ACD/KOC (pH 7.4): 1150.54
Polar Surface Area: 55 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 236.4±5.0 cm3

Click to predict properties on the Chemicalize site


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