ChemSpider 2D Image | (5Z,12xi,13E,15S)-15-Hydroxy-9-oxoprosta-5,13-dien-1-oic acid | C20H32O4

(5Z,12ξ,13E,15S)-15-Hydroxy-9-oxoprosta-5,13-dien-1-oic acid

  • Molecular FormulaC20H32O4
  • Average mass336.466 Da
  • Monoisotopic mass336.230072 Da
  • ChemSpider ID24683809

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(5Z,12ξ,13E,15S)-15-Hydroxy-9-oxoprosta-5,13-dien-1-oic acid [ACD/IUPAC Name]
(5Z,12ξ,13E,15S)-15-Hydroxy-9-oxoprosta-5,13-dien-1-säure [German] [ACD/IUPAC Name]
Acide (5Z,12ξ,13E,15S)-15-hydroxy-9-oxoprosta-5,13-dién-1-oïque [French] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic acid, 15-hydroxy-9-oxo-, (5Z,12ξ,13E,15S)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL354911/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 510.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.9±6.0 kJ/mol
Flash Point: 276.5±25.2 °C
Index of Refraction: 1.543
Molar Refractivity: 97.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 43.50
ACD/KOC (pH 5.5): 303.46
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.84
Polar Surface Area: 75 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 309.9±3.0 cm3

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