Found 11 results

Search term: MF = 'C_{39}H_{31}NO_{5}'
ChemSpider 2D Image | (3aS,6R,6aS,10aR,11aS,11bR)-6-(4-Hydroxy-1-naphthyl)-2-methyl-6a,9-diphenyl-3a,4,6,6a,10a,11,11a,11b-octahydro-1H-naphtho[2,3-e]isoindole-1,3,7,10(2H)-tetrone | C39H31NO5

(3aS,6R,6aS,10aR,11aS,11bR)-6-(4-Hydroxy-1-naphthyl)-2-methyl-6a,9-diphenyl-3a,4,6,6a,10a,11,11a,11b-octahydro-1H-naphtho[2,3-e]isoindole-1,3,7,10(2H)-tetrone

  • Molecular FormulaC39H31NO5
  • Average mass593.667 Da
  • Monoisotopic mass593.220215 Da
  • ChemSpider ID5093870

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3aS,6R,6aS,10aR,11aS,11bR)-6-(4-Hydroxy-1-naphthyl)-2-methyl-6a,9-diphenyl-3a,4,6,6a,10a,11,11a,11b-octahydro-1H-naphtho[2,3-e]isoindol-1,3,7,10(2H)-tetron [German] [ACD/IUPAC Name]
(3aS,6R,6aS,10aR,11aS,11bR)-6-(4-Hydroxy-1-naphthyl)-2-methyl-6a,9-diphenyl-3a,4,6,6a,10a,11,11a,11b-octahydro-1H-naphtho[2,3-e]isoindole-1,3,7,10(2H)-tetrone [ACD/IUPAC Name]
(3aS,6R,6aS,10aR,11aS,11bR)-6-(4-Hydroxy-1-naphtyl)-2-méthyl-6a,9-diphényl-3a,4,6,6a,10a,11,11a,11b-octahydro-1H-naphto[2,3-e]isoindole-1,3,7,10(2H)-tétrone [French] [ACD/IUPAC Name]
1H-Naphth[2,3-e]isoindole-1,3,7,10(2H)-tetrone, 3a,4,6,6a,10a,11,11a,11b-octahydro-6-(4-hydroxy-1-naphthalenyl)-2-methyl-6a,9-diphenyl-, (3aS,6R,6aS,10aR,11aS,11bR)- [ACD/Index Name]
DAP1_024765
DAP2_001999

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

Density: 1.4±0.1 g/cm3
Boiling Point: 792.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.3±3.0 kJ/mol
Flash Point: 433.0±32.9 °C
Index of Refraction: 1.734
Molar Refractivity: 169.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 6.35
ACD/BCF (pH 5.5): 39697.83
ACD/KOC (pH 5.5): 68134.70
ACD/LogD (pH 7.4): 6.35
ACD/BCF (pH 7.4): 39392.30
ACD/KOC (pH 7.4): 67610.29
Polar Surface Area: 92 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 73.1±5.0 dyne/cm
Molar Volume: 422.6±5.0 cm3

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