ChemSpider 2D Image | (5Z,8xi,11beta)-9,11-Dihydroxy-15-oxoprost-5-en-1-oic acid | C20H34O5

(5Z,8ξ,11β)-9,11-Dihydroxy-15-oxoprost-5-en-1-oic acid

  • Molecular FormulaC20H34O5
  • Average mass354.481 Da
  • Monoisotopic mass354.240631 Da
  • ChemSpider ID21467108

  • 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

(5Z,8ξ,11β)-9,11-Dihydroxy-15-oxoprost-5-en-1-oic acid [ACD/IUPAC Name]
(5Z,8ξ,11β)-9,11-Dihydroxy-15-oxoprost-5-en-1-säure [German] [ACD/IUPAC Name]
Acide (5Z,8ξ,11β)-9,11-dihydroxy-15-oxoprost-5-én-1-oïque [French] [ACD/IUPAC Name]
Prost-5-en-1-oic acid, 9,11-dihydroxy-15-oxo-, (5Z,8ξ,11β)- [ACD/Index Name]
11β-13,14-dihydro-15-keto Prostaglandin F2α

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 543.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.4±6.0 kJ/mol
Flash Point: 296.2±23.8 °C
Index of Refraction: 1.512
Molar Refractivity: 97.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 13.09
ACD/KOC (pH 5.5): 128.89
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.06
Polar Surface Area: 95 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 324.8±3.0 cm3

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