ChemSpider 2D Image | (2S)-1-Oxo-1-phenyl-2-propanyl 4-[(1R,2R,6S,7S,8S)-3,5-dioxo-8-phenyl-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl]benzoate | C31H27NO5

(2S)-1-Oxo-1-phenyl-2-propanyl 4-[(1R,2R,6S,7S,8S)-3,5-dioxo-8-phenyl-4-azatricyclo[5.2.1.02,6]dec-4-yl]benzoate

  • Molecular FormulaC31H27NO5
  • Average mass493.550 Da
  • Monoisotopic mass493.188934 Da
  • ChemSpider ID62310829

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S)-1-Oxo-1-phenyl-2-propanyl 4-[(1R,2R,6S,7S,8S)-3,5-dioxo-8-phenyl-4-azatricyclo[5.2.1.02,6]dec-4-yl]benzoate [ACD/IUPAC Name]
(2S)-1-Oxo-1-phenyl-2-propanyl-4-[(1R,2R,6S,7S,8S)-3,5-dioxo-8-phenyl-4-azatricyclo[5.2.1.02,6]dec-4-yl]benzoat [German] [ACD/IUPAC Name]
4-[(1R,2R,6S,7S,8S)-3,5-Dioxo-8-phényl-4-azatricyclo[5.2.1.02,6]déc-4-yl]benzoate de (2S)-1-oxo-1-phényl-2-propanyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(3aS,4S,5S,7R,7aR)-octahydro-1,3-dioxo-5-phenyl-4,7-methano-2H-isoindol-2-yl]-, (1S)-1-methyl-2-oxo-2-phenylethyl 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: 745.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 404.4±32.9 °C
Index of Refraction: 1.631
Molar Refractivity: 136.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3897.51
ACD/KOC (pH 5.5): 12938.36
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3897.51
ACD/KOC (pH 7.4): 12938.36
Polar Surface Area: 81 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 382.6±3.0 cm3

Click to predict properties on the Chemicalize site


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