ChemSpider 2D Image | (5E,11alpha,13E)-11-Hydroxy-9,15-dioxoprosta-5,13-dien-1-oic acid | C20H30O5

(5E,11α,13E)-11-Hydroxy-9,15-dioxoprosta-5,13-dien-1-oic acid

  • Molecular FormulaC20H30O5
  • Average mass350.449 Da
  • Monoisotopic mass350.209320 Da
  • ChemSpider ID31044319
  • 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

(5E,11α,13E)-11-Hydroxy-9,15-dioxoprosta-5,13-dien-1-oic acid [ACD/IUPAC Name]
(5E,11α,13E)-11-Hydroxy-9,15-dioxoprosta-5,13-dien-1-säure [German] [ACD/IUPAC Name]
Acide (5E,11α,13E)-11-hydroxy-9,15-dioxoprosta-5,13-dién-1-oïque [French] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic acid, 11-hydroxy-9,15-dioxo-, (5E,11α,13E)- [ACD/Index Name]
15-keto Prostaglandin E2
15-Keto-prostaglandin E2
26441-05-4 [RN]
7-[(1R,2R,3R)-3-hydroxy-5-oxo-2-(3-oxooct-1-en-1-yl)cyclopentyl]hept-5-enoic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 534.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.2±6.0 kJ/mol
Flash Point: 291.1±26.6 °C
Index of Refraction: 1.552
Molar Refractivity: 97.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 4.97
ACD/KOC (pH 5.5): 64.16
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.02
Polar Surface Area: 92 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 306.1±3.0 cm3

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