ChemSpider 2D Image | 1-Phenyl-2-[(1S,2R,5R,8R)-1,2,8-trihydroxyoctahydro-5-indolizinyl]ethanone | C16H21NO4

1-Phenyl-2-[(1S,2R,5R,8R)-1,2,8-trihydroxyoctahydro-5-indolizinyl]ethanone

  • Molecular FormulaC16H21NO4
  • Average mass291.342 Da
  • Monoisotopic mass291.147064 Da
  • ChemSpider ID34947862

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

1-Phenyl-2-[(1S,2R,5R,8R)-1,2,8-trihydroxyoctahydro-5-indolizinyl]ethanon [German] [ACD/IUPAC Name]
1-Phenyl-2-[(1S,2R,5R,8R)-1,2,8-trihydroxyoctahydro-5-indolizinyl]ethanone [ACD/IUPAC Name]
1-Phényl-2-[(1S,2R,5R,8R)-1,2,8-trihydroxyoctahydro-5-indolizinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[(1S,2R,5R,8R)-octahydro-1,2,8-trihydroxy-5-indolizinyl]-1-phenyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 504.2±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 258.8±25.4 °C
Index of Refraction: 1.638
Molar Refractivity: 77.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.52
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.31
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.23
ACD/KOC (pH 7.4): 35.73
Polar Surface Area: 81 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 67.6±5.0 dyne/cm
Molar Volume: 215.5±5.0 cm3

Click to predict properties on the Chemicalize site


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