Found 5 results

Search term: WGYUXVOGAFCQGA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3R,6S)-6-Benzyl-6-ethyl-3-phenylhexahydro-5H-[1,3]oxazolo[3,2-a]pyridin-5-one | C22H25NO2

(3R,6S)-6-Benzyl-6-ethyl-3-phenylhexahydro-5H-[1,3]oxazolo[3,2-a]pyridin-5-one

  • Molecular FormulaC22H25NO2
  • Average mass335.439 Da
  • Monoisotopic mass335.188538 Da
  • ChemSpider ID30651117

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3R,6S)-6-Benzyl-6-ethyl-3-phenylhexahydro-5H-[1,3]oxazolo[3,2-a]pyridin-5-on [German] [ACD/IUPAC Name]
(3R,6S)-6-Benzyl-6-ethyl-3-phenylhexahydro-5H-[1,3]oxazolo[3,2-a]pyridin-5-one [ACD/IUPAC Name]
(3R,6S)-6-Benzyl-6-éthyl-3-phénylhexahydro-5H-[1,3]oxazolo[3,2-a]pyridin-5-one [French] [ACD/IUPAC Name]
5H-Oxazolo[3,2-a]pyridin-5-one, 6-ethylhexahydro-3-phenyl-6-(phenylmethyl)-, (3R,6S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 502.6±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 257.8±27.1 °C
Index of Refraction: 1.609
Molar Refractivity: 99.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 724.36
ACD/KOC (pH 5.5): 3879.33
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 724.36
ACD/KOC (pH 7.4): 3879.33
Polar Surface Area: 30 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 287.1±5.0 cm3

Click to predict properties on the Chemicalize site


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