Found 5 results

Search term: NLLZPZMJMSXUEY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (4R,4aS,9aR)-4-{[(1S,2S,4S)-7,7-Dimethylbicyclo[2.2.1]hept-2-yl]oxy}-5-hydroxy-3,4,4a,9a-tetrahydro-2,9,10(1H)-anthracenetrione | C23H26O5

(4R,4aS,9aR)-4-{[(1S,2S,4S)-7,7-Dimethylbicyclo[2.2.1]hept-2-yl]oxy}-5-hydroxy-3,4,4a,9a-tetrahydro-2,9,10(1H)-anthracenetrione

  • Molecular FormulaC23H26O5
  • Average mass382.449 Da
  • Monoisotopic mass382.178009 Da
  • ChemSpider ID62606768

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(4R,4aS,9aR)-4-{[(1S,2S,4S)-7,7-Dimethylbicyclo[2.2.1]hept-2-yl]oxy}-5-hydroxy-3,4,4a,9a-tetrahydro-2,9,10(1H)-anthracenetrione [ACD/IUPAC Name]
(4R,4aS,9aR)-4-{[(1S,2S,4S)-7,7-Diméthylbicyclo[2.2.1]hept-2-yl]oxy}-5-hydroxy-3,4,4a,9a-tétrahydro-2,9,10(1H)-anthracènetrione [French] [ACD/IUPAC Name]
(4R,4aS,9aR)-4-{[(1S,2S,4S)-7,7-Dimethylbicyclo[2.2.1]hept-2-yl]oxy}-5-hydroxy-3,4,4a,9a-tetrahydro-2,9,10(1H)-anthracentrion [German] [ACD/IUPAC Name]
2,9,10(1H)-Anthracenetrione, 4-[[(1S,2S,4S)-7,7-dimethylbicyclo[2.2.1]hept-2-yl]oxy]-3,4,4a,9a-tetrahydro-5-hydroxy-, (4R,4aS,9aR)- [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: 586.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 205.3±23.6 °C
Index of Refraction: 1.612
Molar Refractivity: 100.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1722.95
ACD/KOC (pH 5.5): 7114.43
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 366.61
ACD/KOC (pH 7.4): 1513.81
Polar Surface Area: 81 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 290.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement