ChemSpider 2D Image | (11alpha,12alpha,13E)-11-Hydroxy-9,15-dioxoprost-13-en-1-oic acid | C20H32O5

(11α,12α,13E)-11-Hydroxy-9,15-dioxoprost-13-en-1-oic acid

  • Molecular FormulaC20H32O5
  • Average mass352.465 Da
  • Monoisotopic mass352.224976 Da
  • ChemSpider ID77498652

  • 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

(11α,12α,13E)-11-Hydroxy-9,15-dioxoprost-13-en-1-oic acid [ACD/IUPAC Name]
(11α,12α,13E)-11-Hydroxy-9,15-dioxoprost-13-en-1-säure [German] [ACD/IUPAC Name]
Acide (11α,12α,13E)-11-hydroxy-9,15-dioxoprost-13-én-1-oïque [French] [ACD/IUPAC Name]
Prost-13-en-1-oic acid, 11-hydroxy-9,15-dioxo-, (11α,12α,13E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 533.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.1±6.0 kJ/mol
Flash Point: 290.5±26.6 °C
Index of Refraction: 1.538
Molar Refractivity: 97.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 10.03
ACD/KOC (pH 5.5): 107.32
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.72
Polar Surface Area: 92 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 312.5±3.0 cm3

Click to predict properties on the Chemicalize site


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