ChemSpider 2D Image | {2-[(2S,3R,5R,6R)-3-Isopropenyl-5,6-diphenyltetrahydro-2H-pyran-2-yl]-4-methoxyphenoxy}acetic acid | C29H30O5

{2-[(2S,3R,5R,6R)-3-Isopropenyl-5,6-diphenyltetrahydro-2H-pyran-2-yl]-4-methoxyphenoxy}acetic acid

  • Molecular FormulaC29H30O5
  • Average mass458.546 Da
  • Monoisotopic mass458.209320 Da
  • ChemSpider ID68727450

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

{2-[(2S,3R,5R,6R)-3-Isopropenyl-5,6-diphenyltetrahydro-2H-pyran-2-yl]-4-methoxyphenoxy}acetic acid [ACD/IUPAC Name]
{2-[(2S,3R,5R,6R)-3-Isopropenyl-5,6-diphenyltetrahydro-2H-pyran-2-yl]-4-methoxyphenoxy}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[4-methoxy-2-[(2S,3R,5R,6R)-tetrahydro-3-(1-methylethenyl)-5,6-diphenyl-2H-pyran-2-yl]phenoxy]- [ACD/Index Name]
Acide {2-[(2S,3R,5R,6R)-3-isopropényl-5,6-diphényltétrahydro-2H-pyran-2-yl]-4-méthoxyphénoxy}acétique [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: 623.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 204.8±25.0 °C
Index of Refraction: 1.578
Molar Refractivity: 130.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 162.54
ACD/KOC (pH 5.5): 304.58
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 7.18
ACD/KOC (pH 7.4): 13.44
Polar Surface Area: 65 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 394.7±3.0 cm3

Click to predict properties on the Chemicalize site


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