ChemSpider 2D Image | (5E,15S)-10,10-Difluoro-11,15-dihydroxy-6,9-epoxyprost-5-en-13-yn-1-oic acid | C20H28F2O5

(5E,15S)-10,10-Difluoro-11,15-dihydroxy-6,9-epoxyprost-5-en-13-yn-1-oic acid

  • Molecular FormulaC20H28F2O5
  • Average mass386.430 Da
  • Monoisotopic mass386.190491 Da
  • ChemSpider ID25063170

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 5 defined stereocentres

More details:

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

(5E,15S)-10,10-Difluor-11,15-dihydroxy-6,9-epoxyprost-5-en-13-in-1-säure [German] [ACD/IUPAC Name]
(5E,15S)-10,10-Difluoro-11,15-dihydroxy-6,9-epoxyprost-5-en-13-yn-1-oic acid [ACD/IUPAC Name]
Acide (5E,15S)-10,10-difluoro-11,15-dihydroxy-6,9-époxyprost-5-én-13-yn-1-oïque [French] [ACD/IUPAC Name]
Prost-5-en-13-yn-1-oic acid, 6,9-epoxy-10,10-difluoro-11,15-dihydroxy-, (5E,15S)- [ACD/Index 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: 572.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.6±6.0 kJ/mol
Flash Point: 300.0±30.1 °C
Index of Refraction: 1.534
Molar Refractivity: 94.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 10.41
ACD/KOC (pH 5.5): 105.77
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.67
Polar Surface Area: 87 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 305.0±5.0 cm3

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