ChemSpider 2D Image | (5R,5aS,12aR,12bS)-12a-Ethyl-5-hydroxy-1,2,3,5,5a,11,12,12a-octahydro-4H,10H-3a,9b-diazaindeno[7,1-jk]fluorene-4,10-dione | C19H22N2O3

(5R,5aS,12aR,12bS)-12a-Ethyl-5-hydroxy-1,2,3,5,5a,11,12,12a-octahydro-4H,10H-3a,9b-diazaindeno[7,1-jk]fluorene-4,10-dione

  • Molecular FormulaC19H22N2O3
  • Average mass326.390 Da
  • Monoisotopic mass326.163055 Da
  • ChemSpider ID75585037

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5R,5aS,12aR,12bS)-12a-Ethyl-5-hydroxy-1,2,3,5,5a,11,12,12a-octahydro-4H,10H-3a,9b-diazaindeno[7,1-jk]fluoren-4,10-dion [German] [ACD/IUPAC Name]
(5R,5aS,12aR,12bS)-12a-Ethyl-5-hydroxy-1,2,3,5,5a,11,12,12a-octahydro-4H,10H-3a,9b-diazaindeno[7,1-jk]fluorene-4,10-dione [ACD/IUPAC Name]
(5R,5aS,12aR,12bS)-12a-Éthyl-5-hydroxy-1,2,3,5,5a,11,12,12a-octahydro-4H,10H-3a,9b-diazaindéno[7,1-jk]fluorène-4,10-dione [French] [ACD/IUPAC Name]
5H,12H-Benz[b]indolizino[8,1-hi]indolizine-5,12-dione, 14a-ethyl-1,2,3,6,6a,13,14,14a-octahydro-6-hydroxy-, (6R,6aS,14aR,14bS)- [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: 555.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 289.9±30.1 °C
Index of Refraction: 1.680
Molar Refractivity: 88.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.59
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.78
ACD/KOC (pH 5.5): 203.44
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.78
ACD/KOC (pH 7.4): 203.44
Polar Surface Area: 61 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 69.0±5.0 dyne/cm
Molar Volume: 233.6±5.0 cm3

Click to predict properties on the Chemicalize site


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