ChemSpider 2D Image | (5Z,9alpha,12xi,13E,15S,17Z)-9,15-Dihydroxy-11-oxoprosta-5,13,17-trien-1-oic acid | C20H30O5

(5Z,9α,12ξ,13E,15S,17Z)-9,15-Dihydroxy-11-oxoprosta-5,13,17-trien-1-oic acid

  • Molecular FormulaC20H30O5
  • Average mass350.449 Da
  • Monoisotopic mass350.209320 Da
  • ChemSpider ID23236313

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(5Z,9α,12ξ,13E,15S,17Z)-9,15-Dihydroxy-11-oxoprosta-5,13,17-trien-1-oic acid [ACD/IUPAC Name]
(5Z,9α,12ξ,13E,15S,17Z)-9,15-Dihydroxy-11-oxoprosta-5,13,17-trien-1-säure [German] [ACD/IUPAC Name]
Acide (5Z,9α,12ξ,13E,15S,17Z)-9,15-dihydroxy-11-oxoprosta-5,13,17-trién-1-oïque [French] [ACD/IUPAC Name]
Prosta-5,13,17-trien-1-oic acid, 9,15-dihydroxy-11-oxo-, (5Z,9α,12ξ,13E,15S,17Z)- [ACD/Index Name]
7-[5-Hydroxy-2-(3-hydroxy-octa-1,5-dienyl)-3-oxo-cyclopentyl]-hept-5-enoic acid(PGD3)

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

Density: 1.2±0.1 g/cm3
Boiling Point: 561.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.0±6.0 kJ/mol
Flash Point: 307.2±26.6 °C
Index of Refraction: 1.575
Molar Refractivity: 99.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 1.53
ACD/KOC (pH 5.5): 27.67
ACD/LogD (pH 7.4): -0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 300.5±3.0 cm3

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