ChemSpider 2D Image | (13E,15S)-15-Hydroxy-9-oxoprost-13-en-1-oic acid | C20H34O4

(13E,15S)-15-Hydroxy-9-oxoprost-13-en-1-oic acid

  • Molecular FormulaC20H34O4
  • Average mass338.482 Da
  • Monoisotopic mass338.245697 Da
  • ChemSpider ID34252445
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres


More details:






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

(13E,15S)-15-Hydroxy-9-oxoprost-13-en-1-oic acid [ACD/IUPAC Name]
(13E,15S)-15-Hydroxy-9-oxoprost-13-en-1-säure [German] [ACD/IUPAC Name]
Acide (13E,15S)-15-hydroxy-9-oxoprost-13-én-1-oïque [French] [ACD/IUPAC Name]
Prost-13-en-1-oic acid, 15-hydroxy-9-oxo-, (13E,15S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 509.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.8±6.0 kJ/mol
Flash Point: 276.1±22.4 °C
Index of Refraction: 1.530
Molar Refractivity: 97.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 52.84
ACD/KOC (pH 5.5): 352.72
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.65
Polar Surface Area: 75 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 316.2±3.0 cm3

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