ChemSpider 2D Image | (5E,9alpha,11alpha,13E,15S)-9,15-Dihydroxy-1,11-epoxyprosta-5,13-dien-1-one | C20H32O4

(5E,9α,11α,13E,15S)-9,15-Dihydroxy-1,11-epoxyprosta-5,13-dien-1-one

  • Molecular FormulaC20H32O4
  • Average mass336.466 Da
  • Monoisotopic mass336.230072 Da
  • ChemSpider ID24822052

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5E,9α,11α,13E,15S)-9,15-Dihydroxy-1,11-epoxyprosta-5,13-dien-1-on [German] [ACD/IUPAC Name]
(5E,9α,11α,13E,15S)-9,15-Dihydroxy-1,11-epoxyprosta-5,13-dien-1-one [ACD/IUPAC Name]
(5E,9α,11α,13E,15S)-9,15-Dihydroxy-1,11-époxyprosta-5,13-dién-1-one [French] [ACD/IUPAC Name]
Prosta-5,13-dien-1-one, 1,11-epoxy-9,15-dihydroxy-, (5E,9α,11α,13E,15S)- [ACD/Index Name]
(1R,10R,11S,13R)-11-hydroxy-13-[(E,3S)-3-hydroxyoct-1-enyl]-2-oxabicyclo[8.2.1]tridec-7-en-3-one
(1R,10R,11S,13R,Z)-11-Hydroxy-13-((S,E)-3-hydroxyoct-1-en-1-yl)-2-oxabicyclo[8.2.1]tridec-7-en-3-one
62410-84-8 [RN]
9α, 11α, 15S-Trihydroxy-prosta-5Z, 13E-dien-1-oic acid, 1,11-lactone
prostaglandin f2?? 1,11-lactone

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

Density: 1.1±0.1 g/cm3
Boiling Point: 516.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.7±6.0 kJ/mol
Flash Point: 177.6±23.6 °C
Index of Refraction: 1.545
Molar Refractivity: 96.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 160.73
ACD/KOC (pH 5.5): 1320.48
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 160.73
ACD/KOC (pH 7.4): 1320.48
Polar Surface Area: 67 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 305.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement