ChemSpider 2D Image | (5E,8beta,9alpha,11alpha,13E)-15-Fluoro-9,11-dihydroxyprosta-5,13-dien-1-oic acid | C20H33FO4

(5E,8β,9α,11α,13E)-15-Fluoro-9,11-dihydroxyprosta-5,13-dien-1-oic acid

  • Molecular FormulaC20H33FO4
  • Average mass356.472 Da
  • Monoisotopic mass356.236298 Da
  • ChemSpider ID25996830

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(5E,8β,9α,11α,13E)-15-Fluor-9,11-dihydroxyprosta-5,13-dien-1-säure [German] [ACD/IUPAC Name]
(5E,8β,9α,11α,13E)-15-Fluoro-9,11-dihydroxyprosta-5,13-dien-1-oic acid [ACD/IUPAC Name]
Acide (5E,8β,9α,11α,13E)-15-fluoro-9,11-dihydroxyprosta-5,13-dién-1-oïque [French] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic acid, 15-fluoro-9,11-dihydroxy-, (5E,8β,9α,11α,13E)- [ACD/Index Name]
(Z)-7-[(1R,2R,3R,5S)-2-[(E)-3-fluorooct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 506.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.4±6.0 kJ/mol
Flash Point: 260.0±30.1 °C
Index of Refraction: 1.543
Molar Refractivity: 99.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 24.06
ACD/KOC (pH 5.5): 199.25
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.18
Polar Surface Area: 78 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 315.3±3.0 cm3

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