ChemSpider 2D Image | Benzyl (5E,11beta)-16,16-difluoro-11-hydroxy-9,15-dioxoprost-5-en-1-oate | C27H36F2O5

Benzyl (5E,11β)-16,16-difluoro-11-hydroxy-9,15-dioxoprost-5-en-1-oate

  • Molecular FormulaC27H36F2O5
  • Average mass478.569 Da
  • Monoisotopic mass478.253082 Da
  • ChemSpider ID114814428

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5E,11β)-16,16-Difluoro-11-hydroxy-9,15-dioxoprost-5-én-1-oate de benzyle [French] [ACD/IUPAC Name]
Benzyl (5E,11β)-16,16-difluoro-11-hydroxy-9,15-dioxoprost-5-en-1-oate [ACD/IUPAC Name]
Benzyl-(5E,11β)-16,16-difluor-11-hydroxy-9,15-dioxoprost-5-en-1-oat [German] [ACD/IUPAC Name]
Prost-5-en-1-oic acid, 16,16-difluoro-11-hydroxy-9,15-dioxo-, phenylmethyl ester, (5E,11β)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 586.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 308.3±30.1 °C
Index of Refraction: 1.508
Molar Refractivity: 125.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 477.06
ACD/KOC (pH 5.5): 2876.92
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 477.06
ACD/KOC (pH 7.4): 2876.92
Polar Surface Area: 81 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 421.3±3.0 cm3

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