ChemSpider 2D Image | (5E,11alpha,13E,15S)-11,15,20-Trihydroxy-9-oxoprosta-5,13-dien-1-oic acid | C20H32O6

(5E,11α,13E,15S)-11,15,20-Trihydroxy-9-oxoprosta-5,13-dien-1-oic acid

  • Molecular FormulaC20H32O6
  • Average mass368.465 Da
  • Monoisotopic mass368.219879 Da
  • ChemSpider ID31044449

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5E,11α,13E,15S)-11,15,20-Trihydroxy-9-oxoprosta-5,13-dien-1-oic acid [ACD/IUPAC Name]
(5E,11α,13E,15S)-11,15,20-Trihydroxy-9-oxoprosta-5,13-dien-1-säure [German] [ACD/IUPAC Name]
Acide (5E,11α,13E,15S)-11,15,20-trihydroxy-9-oxoprosta-5,13-dién-1-oïque [French] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic acid, 11,15,20-trihydroxy-9-oxo-, (5E,11α,13E,15S)- [ACD/Index Name]
20-hydroxy Prostaglandin E2
20-Hydroxy-PGE2
57930-95-7 [RN]
7-[(1R,2R,3R)-2-[(3S)-3,8-dihydroxyoct-1-en-1-yl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 610.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.0±6.0 kJ/mol
Flash Point: 336.9±28.0 °C
Index of Refraction: 1.577
Molar Refractivity: 100.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: -0.13
ACD/LogD (pH 5.5): -0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.73
ACD/LogD (pH 7.4): -2.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 304.4±3.0 cm3

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