ChemSpider 2D Image | (5Z,9alpha,11alpha,13E)-11-Hydroxy-15-oxo-6,9-epoxyprosta-5,13-dien-1-oic acid | C20H30O5

(5Z,9α,11α,13E)-11-Hydroxy-15-oxo-6,9-epoxyprosta-5,13-dien-1-oic acid

  • Molecular FormulaC20H30O5
  • Average mass350.449 Da
  • Monoisotopic mass350.209320 Da
  • ChemSpider ID107562502

  • 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

(5Z,9α,11α,13E)-11-Hydroxy-15-oxo-6,9-epoxyprosta-5,13-dien-1-oic acid [ACD/IUPAC Name]
(5Z,9α,11α,13E)-11-Hydroxy-15-oxo-6,9-epoxyprosta-5,13-dien-1-säure [German] [ACD/IUPAC Name]
Acide (5Z,9α,11α,13E)-11-hydroxy-15-oxo-6,9-époxyprosta-5,13-dién-1-oïque [French] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic acid, 6,9-epoxy-11-hydroxy-15-oxo-, (5Z,9α,11α,13E)- [ACD/Index Name]
5-[(3Ar,4R,5R,6aS)-5-hydroxy-4-(3-oxooct-1-enyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic 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: 534.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.3±6.0 kJ/mol
Flash Point: 184.9±23.6 °C
Index of Refraction: 1.602
Molar Refractivity: 98.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 6.52
ACD/KOC (pH 5.5): 75.64
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.20
Polar Surface Area: 84 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 287.9±3.0 cm3

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