ChemSpider 2D Image | (5E,11alpha,12xi,13E)-11,16-Dihydroxy-9-oxo-16-vinylprosta-5,13-dien-1-oic acid | C22H34O5

(5E,11α,12ξ,13E)-11,16-Dihydroxy-9-oxo-16-vinylprosta-5,13-dien-1-oic acid

  • Molecular FormulaC22H34O5
  • Average mass378.502 Da
  • Monoisotopic mass378.240631 Da
  • ChemSpider ID23219757

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(5E,11α,12ξ,13E)-11,16-Dihydroxy-9-oxo-16-vinylprosta-5,13-dien-1-oic acid [ACD/IUPAC Name]
(5E,11α,12ξ,13E)-11,16-Dihydroxy-9-oxo-16-vinylprosta-5,13-dien-1-säure [German] [ACD/IUPAC Name]
(5E,11α,12ξ,13E)-16-ethenyl-11,16-dihydroxy-9-oxoprosta-5,13-dien-1-oic acid
Acide (5E,11α,12ξ,13E)-11,16-dihydroxy-9-oxo-16-vinylprosta-5,13-dién-1-oïque [French] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic acid, 16-ethenyl-11,16-dihydroxy-9-oxo-, (5E,11α,12ξ,13E)- [ACD/Index Name]
7-[3-Hydroxy-2-(4-hydroxy-4-vinyl-oct-1-enyl)-5-oxo-cyclopentyl]-hept-5-enoic acid(DHV-PGE2)
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL344566/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 553.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.9±6.0 kJ/mol
Flash Point: 302.4±26.6 °C
Index of Refraction: 1.561
Molar Refractivity: 108.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 7.54
ACD/KOC (pH 5.5): 86.52
ACD/LogD (pH 7.4): -0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.38
Polar Surface Area: 95 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 334.6±3.0 cm3

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