ChemSpider 2D Image | (1s,2r,5s,8r,8ar)-5-[2-(4-Tert-Butylphenyl)ethyl]octahydroindolizine-1,2,8-Triol | C20H31NO3

(1s,2r,5s,8r,8ar)-5-[2-(4-Tert-Butylphenyl)ethyl]octahydroindolizine-1,2,8-Triol

  • Molecular FormulaC20H31NO3
  • Average mass333.465 Da
  • Monoisotopic mass333.230408 Da
  • ChemSpider ID25060350
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(1s,2r,5s,8r,8ar)-5-[2-(4-Tert-Butylphenyl)ethyl]octahydroindolizine-1,2,8-Triol
(1S,2R,5S,8R,8aR)-5-{2-[4-(2-Methyl-2-propanyl)phenyl]ethyl}octahydro-1,2,8-indolizinetriol [ACD/IUPAC Name]
(1S,2R,5S,8R,8aR)-5-{2-[4-(2-Méthyl-2-propanyl)phényl]éthyl}octahydro-1,2,8-indolizinetriol [French] [ACD/IUPAC Name]
(1S,2R,5S,8R,8aR)-5-{2-[4-(2-Methyl-2-propanyl)phenyl]ethyl}octahydro-1,2,8-indolizintriol [German] [ACD/IUPAC Name]
1,2,8-Indolizinetriol, 5-[2-[4-(1,1-dimethylethyl)phenyl]ethyl]octahydro-, (1S,2R,5S,8R,8aR)- [ACD/Index Name]
HN5

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 495.3±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 247.9±21.5 °C
Index of Refraction: 1.592
Molar Refractivity: 95.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.95
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 32.45
ACD/KOC (pH 7.4): 294.09
Polar Surface Area: 64 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 283.4±5.0 cm3

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