ChemSpider 2D Image | (2S)-1-[(3aR,4S,7aR)-4-Hydroxy-4-(2-methoxyphenyl)-7,7-diphenyloctahydro-2H-isoindol-2-yl]-2-(2-methoxyphenyl)-1-propanone | C37H39NO4

(2S)-1-[(3aR,4S,7aR)-4-Hydroxy-4-(2-methoxyphenyl)-7,7-diphenyloctahydro-2H-isoindol-2-yl]-2-(2-methoxyphenyl)-1-propanone

  • Molecular FormulaC37H39NO4
  • Average mass561.710 Da
  • Monoisotopic mass561.287903 Da
  • ChemSpider ID28528811

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S)-1-[(3aR,4S,7aR)-4-Hydroxy-4-(2-methoxyphenyl)-7,7-diphenyloctahydro-2H-isoindol-2-yl]-2-(2-methoxyphenyl)-1-propanon [German] [ACD/IUPAC Name]
(2S)-1-[(3aR,4S,7aR)-4-Hydroxy-4-(2-methoxyphenyl)-7,7-diphenyloctahydro-2H-isoindol-2-yl]-2-(2-methoxyphenyl)-1-propanone [ACD/IUPAC Name]
(2S)-1-[(3aR,4S,7aR)-4-Hydroxy-4-(2-méthoxyphényl)-7,7-diphényloctahydro-2H-isoindol-2-yl]-2-(2-méthoxyphényl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 2-(2-methoxyphenyl)-1-[(3aR,4S,7aR)-octahydro-4-hydroxy-4-(2-methoxyphenyl)-7,7-diphenyl-2H-isoindol-2-yl]-, (2S)- [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: 740.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 401.9±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 164.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.38
ACD/LogD (pH 5.5): 6.78
ACD/BCF (pH 5.5): 84113.97
ACD/KOC (pH 5.5): 116627.27
ACD/LogD (pH 7.4): 6.78
ACD/BCF (pH 7.4): 84113.97
ACD/KOC (pH 7.4): 116627.27
Polar Surface Area: 59 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 475.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement