ChemSpider 2D Image | (8xi,13E)-15-Hydroxy-9-oxoprosta-10,13-dien-1-oic acid | C20H32O4

(8ξ,13E)-15-Hydroxy-9-oxoprosta-10,13-dien-1-oic acid

  • Molecular FormulaC20H32O4
  • Average mass336.466 Da
  • Monoisotopic mass336.230072 Da
  • ChemSpider ID21466913
  • 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

(8ξ,13E)-15-Hydroxy-9-oxoprosta-10,13-dien-1-oic acid [ACD/IUPAC Name]
(8ξ,13E)-15-Hydroxy-9-oxoprosta-10,13-dien-1-säure [German] [ACD/IUPAC Name]
Acide (8ξ,13E)-15-hydroxy-9-oxoprosta-10,13-dién-1-oïque [French] [ACD/IUPAC Name]
Prosta-10,13-dien-1-oic acid, 15-hydroxy-9-oxo-, (8ξ,13E)- [ACD/Index Name]
14152-28-4 [RN]
9-oxo-15S-hydroxy-prosta-10,13E-dien-1-oic acid
PROSTAGLANDIN A1

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

Density: 1.1±0.1 g/cm3
Boiling Point: 510.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.0±6.0 kJ/mol
Flash Point: 276.7±26.6 °C
Index of Refraction: 1.541
Molar Refractivity: 97.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 68.48
ACD/KOC (pH 5.5): 424.31
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 1.10
ACD/KOC (pH 7.4): 6.80
Polar Surface Area: 75 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 309.5±3.0 cm3

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