Found 4 results

Search term: MF = 'C_{26}H_{30}Cl_{2}O_{5}'
ChemSpider 2D Image | {4-Chloro-2-[(2S,3R,5R,6S)-5-(4-chlorophenyl)-3-isopropenyl-6-propyltetrahydro-2H-pyran-2-yl]-6-methoxyphenoxy}acetic acid | C26H30Cl2O5

{4-Chloro-2-[(2S,3R,5R,6S)-5-(4-chlorophenyl)-3-isopropenyl-6-propyltetrahydro-2H-pyran-2-yl]-6-methoxyphenoxy}acetic acid

  • Molecular FormulaC26H30Cl2O5
  • Average mass493.419 Da
  • Monoisotopic mass492.147034 Da
  • ChemSpider ID113604471

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

{4-Chlor-2-[(2S,3R,5R,6S)-5-(4-chlorphenyl)-3-isopropenyl-6-propyltetrahydro-2H-pyran-2-yl]-6-methoxyphenoxy}essigsäure [German] [ACD/IUPAC Name]
{4-Chloro-2-[(2S,3R,5R,6S)-5-(4-chlorophenyl)-3-isopropenyl-6-propyltetrahydro-2H-pyran-2-yl]-6-methoxyphenoxy}acetic acid [ACD/IUPAC Name]
Acetic acid, 2-[4-chloro-2-[(2S,3R,5R,6S)-5-(4-chlorophenyl)tetrahydro-3-(1-methylethenyl)-6-propyl-2H-pyran-2-yl]-6-methoxyphenoxy]- [ACD/Index Name]
Acide {4-chloro-2-[(2S,3R,5R,6S)-5-(4-chlorophényl)-3-isopropényl-6-propyltétrahydro-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: 1.2±0.1 g/cm3
Boiling Point: 606.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 320.5±31.5 °C
Index of Refraction: 1.550
Molar Refractivity: 130.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.61
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 526.29
ACD/KOC (pH 5.5): 655.46
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 28.20
ACD/KOC (pH 7.4): 35.12
Polar Surface Area: 65 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 408.5±3.0 cm3

Click to predict properties on the Chemicalize site


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