ChemSpider 2D Image | (5Z,9alpha,11alpha,13E)-11-Hydroxy-15-oxo-6,9-epoxyprosta-5,13-dien-1-oate | C20H29O5

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

  • Molecular FormulaC20H29O5
  • Average mass349.442 Da
  • Monoisotopic mass349.202057 Da
  • ChemSpider ID26330776

  • Charge - Charge

    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-oat [German] [ACD/IUPAC Name]
(5Z,9α,11α,13E)-11-Hydroxy-15-oxo-6,9-epoxyprosta-5,13-dien-1-oate [ACD/IUPAC Name]
(5Z,9α,11α,13E)-11-Hydroxy-15-oxo-6,9-époxyprosta-5,13-dién-1-oate [French] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic acid, 6,9-epoxy-11-hydroxy-15-oxo-, ion(1-), (5Z,9α,11α,13E)- [ACD/Index Name]
(5Z,13E)-6,9α-Epoxy-11α-hydroxy-15-oxoprosta-5,13-dienoate
15-dehydro-prostaglandin I2
15-dehydro-prostaglandin I2(1-)

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

Density:
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:
Molar Refractivity:
#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: 87 Å2
Polarizability:
Surface Tension:
Molar Volume:

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