ChemSpider 2D Image | 5-[(3S,4R,5R,6S)-4,5,6-Tris(benzyloxy)-1,7-octadien-3-yl]-1,3-benzodioxole | C36H36O5

5-[(3S,4R,5R,6S)-4,5,6-Tris(benzyloxy)-1,7-octadien-3-yl]-1,3-benzodioxole

  • Molecular FormulaC36H36O5
  • Average mass548.668 Da
  • Monoisotopic mass548.256287 Da
  • ChemSpider ID10025665

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,3-Benzodioxole, 5-[(1S,2R,3R,4S)-1-ethenyl-2,3,4-tris(phenylmethoxy)-5-hexen-1-yl]- [ACD/Index Name]
5-[(3S,4R,5R,6S)-4,5,6-Tris(benzyloxy)-1,7-octadien-3-yl]-1,3-benzodioxol [German] [ACD/IUPAC Name]
5-[(3S,4R,5R,6S)-4,5,6-Tris(benzyloxy)-1,7-octadien-3-yl]-1,3-benzodioxole [ACD/IUPAC Name]
5-[(3S,4R,5R,6S)-4,5,6-Tris(benzyloxy)-1,7-octadién-3-yl]-1,3-benzodioxole [French] [ACD/IUPAC 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: 663.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 250.8±31.4 °C
Index of Refraction: 1.596
Molar Refractivity: 161.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 9.65
ACD/LogD (pH 5.5): 8.34
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 818815.56
ACD/LogD (pH 7.4): 8.34
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 818815.56
Polar Surface Area: 46 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 475.2±3.0 cm3

Click to predict properties on the Chemicalize site


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