ChemSpider 2D Image | (4S)-4-Hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-1-butyn-1-yl]phenyl}-3-pentanyl)phenoxy]pentanoic acid | C29H32F6O5

(4S)-4-Hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-1-butyn-1-yl]phenyl}-3-pentanyl)phenoxy]pentanoic acid

  • Molecular FormulaC29H32F6O5
  • Average mass574.552 Da
  • Monoisotopic mass574.215393 Da
  • ChemSpider ID29399418

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-Hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[4,4,4-trifluor-3-hydroxy-3-(trifluormethyl)-1-butin-1-yl]phenyl}-3-pentanyl)phenoxy]pentansäure [German] [ACD/IUPAC Name]
(4S)-4-Hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-1-butyn-1-yl]phenyl}-3-pentanyl)phenoxy]pentanoic acid [ACD/IUPAC Name]
(4s)-4-Hydroxy-5-[2-Methyl-4-(3-{3-Methyl-4-[4,4,4-Trifluoro-3-Hydroxy-3-(Trifluoromethyl)but-1-Yn-1-Yl]phenyl}pentan-3-Yl)phenoxy]pentanoic Acid
Acide (4S)-4-hydroxy-5-[2-méthyl-4-(3-{3-méthyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluorométhyl)-1-butyn-1-yl]phényl}-3-pentanyl)phénoxy]pentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 5-[4-[1-ethyl-1-[3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-1-butyn-1-yl]phenyl]propyl]-2-methylphenoxy]-4-hydroxy-, (4S)- [ACD/Index Name]
DS5

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 647.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 345.3±31.5 °C
Index of Refraction: 1.535
Molar Refractivity: 135.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 12.35
ACD/LogD (pH 5.5): 7.30
ACD/BCF (pH 5.5): 115382.77
ACD/KOC (pH 5.5): 73409.09
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 1025.13
ACD/KOC (pH 7.4): 652.21
Polar Surface Area: 87 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 434.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement