Found 2 results

Search term: AZCLQBCVFBYTHR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1E,3R,4aS,12aR)-N-Hydroxy-3-isopropenyl-8-methoxy-12a-methyl-3,4,4a,5,6,11,12,12a-octahydro-1(2H)-chrysenimine | C23H29NO2

(1E,3R,4aS,12aR)-N-Hydroxy-3-isopropenyl-8-methoxy-12a-methyl-3,4,4a,5,6,11,12,12a-octahydro-1(2H)-chrysenimine

  • Molecular FormulaC23H29NO2
  • Average mass351.482 Da
  • Monoisotopic mass351.219818 Da
  • ChemSpider ID68059451

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1E,3R,4aS,12aR)-N-Hydroxy-3-isopropenyl-8-methoxy-12a-methyl-3,4,4a,5,6,11,12,12a-octahydro-1(2H)-chrysenimin [German] [ACD/IUPAC Name]
(1E,3R,4aS,12aR)-N-Hydroxy-3-isopropenyl-8-methoxy-12a-methyl-3,4,4a,5,6,11,12,12a-octahydro-1(2H)-chrysenimine [ACD/IUPAC Name]
(1E,3R,4aS,12aR)-N-Hydroxy-3-isopropényl-8-méthoxy-12a-méthyl-3,4,4a,5,6,11,12,12a-octahydro-1(2H)-chrysénimine [French] [ACD/IUPAC Name]
1(2H)-Chrysenone, 3,4,4a,5,6,11,12,12a-octahydro-8-methoxy-12a-methyl-3-(1-methylethenyl)-, oxime, (1E,3R,4aS,12aR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 511.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 263.1±30.1 °C
Index of Refraction: 1.608
Molar Refractivity: 103.4±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 6.38
ACD/BCF (pH 5.5): 41644.02
ACD/KOC (pH 5.5): 70511.34
ACD/LogD (pH 7.4): 6.38
ACD/BCF (pH 7.4): 41643.38
ACD/KOC (pH 7.4): 70510.26
Polar Surface Area: 42 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 40.1±7.0 dyne/cm
Molar Volume: 299.0±7.0 cm3

Click to predict properties on the Chemicalize site


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