Found 2 results

Search term: MF = 'C_{25}H_{28}BrClO_{5}'
ChemSpider 2D Image | {4-Bromo-2-[(2S,3R,5R,6S)-5-(4-chlorophenyl)-6-ethyl-3-isopropenyltetrahydro-2H-pyran-2-yl]-6-methoxyphenoxy}acetic acid | C25H28BrClO5

{4-Bromo-2-[(2S,3R,5R,6S)-5-(4-chlorophenyl)-6-ethyl-3-isopropenyltetrahydro-2H-pyran-2-yl]-6-methoxyphenoxy}acetic acid

  • Molecular FormulaC25H28BrClO5
  • Average mass523.844 Da
  • Monoisotopic mass522.080872 Da
  • ChemSpider ID113604366

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

{4-Brom-2-[(2S,3R,5R,6S)-5-(4-chlorphenyl)-6-ethyl-3-isopropenyltetrahydro-2H-pyran-2-yl]-6-methoxyphenoxy}essigsäure [German] [ACD/IUPAC Name]
{4-Bromo-2-[(2S,3R,5R,6S)-5-(4-chlorophenyl)-6-ethyl-3-isopropenyltetrahydro-2H-pyran-2-yl]-6-methoxyphenoxy}acetic acid [ACD/IUPAC Name]
Acetic acid, 2-[4-bromo-2-[(2S,3R,5R,6S)-5-(4-chlorophenyl)-6-ethyltetrahydro-3-(1-methylethenyl)-2H-pyran-2-yl]-6-methoxyphenoxy]- [ACD/Index Name]
Acide {4-bromo-2-[(2S,3R,5R,6S)-5-(4-chlorophényl)-6-éthyl-3-isopropényltétrahydro-2H-pyran-2-yl]-6-méthoxyphénoxy}acétique [French] [ACD/IUPAC 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: 603.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 318.9±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 128.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.32
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 285.63
ACD/KOC (pH 5.5): 423.21
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 15.30
ACD/KOC (pH 7.4): 22.67
Polar Surface Area: 65 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 396.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement