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

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

  • Molecular FormulaC20H32O6
  • Average mass368.465 Da
  • Monoisotopic mass368.219879 Da
  • ChemSpider ID107562509

  • 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,15S)-15-Hydroperoxy-11-hydroxy-9-oxoprosta-5,13-dien-1-oic acid [ACD/IUPAC Name]
(5E,11α,15S)-15-Hydroperoxy-11-hydroxy-9-oxoprosta-5,13-dien-1-säure [German] [ACD/IUPAC Name]
Acide (5E,11α,15S)-15-hydroperoxy-11-hydroxy-9-oxoprosta-5,13-dién-1-oïque [French] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic acid, 15-hydroperoxy-11-hydroxy-9-oxo-, (5E,11α,15S)- [ACD/Index Name]
7-[(1R,2R,3R)-2-[(3S)-3-Hydroperoxyoct-1-enyl]-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: 557.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.5±6.0 kJ/mol
Flash Point: 190.6±23.6 °C
Index of Refraction: 1.558
Molar Refractivity: 101.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 10.50
ACD/KOC (pH 5.5): 109.65
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.75
Polar Surface Area: 104 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 313.2±3.0 cm3

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