ChemSpider 2D Image | (3aS,14aR)-3a-Ethyl-14a-hydroxy-2,3,3a,4,5,14a-hexahydroindolizino[8,1-ef][1]benzazonine-6,13(1H,7H)-dione | C19H22N2O3

(3aS,14aR)-3a-Ethyl-14a-hydroxy-2,3,3a,4,5,14a-hexahydroindolizino[8,1-ef][1]benzazonine-6,13(1H,7H)-dione

  • Molecular FormulaC19H22N2O3
  • Average mass326.390 Da
  • Monoisotopic mass326.163055 Da
  • ChemSpider ID114553200

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aS,14aR)-3a-Ethyl-14a-hydroxy-2,3,3a,4,5,14a-hexahydroindolizino[8,1-ef][1]benzazonin-6,13(1H,7H)-dion [German] [ACD/IUPAC Name]
(3aS,14aR)-3a-Ethyl-14a-hydroxy-2,3,3a,4,5,14a-hexahydroindolizino[8,1-ef][1]benzazonine-6,13(1H,7H)-dione [ACD/IUPAC Name]
(3aS,14aR)-3a-Éthyl-14a-hydroxy-2,3,3a,4,5,14a-hexahydroindolizino[8,1-ef][1]benzazonine-6,13(1H,7H)-dione [French] [ACD/IUPAC Name]
Indolizino[8,1-ef][1]benzazonine-6,13(1H,7H)-dione, 3a-ethyl-2,3,3a,4,5,14a-hexahydro-14a-hydroxy-, (3aS,14aR)- [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: 615.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 326.1±31.5 °C
Index of Refraction: 1.652
Molar Refractivity: 89.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 5.03
ACD/KOC (pH 5.5): 110.66
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 5.03
ACD/KOC (pH 7.4): 110.66
Polar Surface Area: 70 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 63.3±5.0 dyne/cm
Molar Volume: 245.5±5.0 cm3

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