ChemSpider 2D Image | (5Z,9alpha,12E,14E)-9-Hydroxy-11-oxo(3,3,4,4-~2~H_4_)prosta-5,12,14-trien-1-oic acid | C20H26D4O4

(5Z,9α,12E,14E)-9-Hydroxy-11-oxo(3,3,4,4-2H4)prosta-5,12,14-trien-1-oic acid

  • Molecular FormulaC20H26D4O4
  • Average mass338.474 Da
  • Monoisotopic mass338.239502 Da
  • ChemSpider ID90606561

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5Z,9α,12E,14E)-9-Hydroxy-11-oxo(3,3,4,4-2H4)prosta-5,12,14-trien-1-oic acid [ACD/IUPAC Name]
(5Z,9α,12E,14E)-9-Hydroxy-11-oxo(3,3,4,4-2H4)prosta-5,12,14-trien-1-säure [German] [ACD/IUPAC Name]
Acide (5Z,9α,12E,14E)-9-hydroxy-11-oxo(3,3,4,4-2H4)prosta-5,12,14-trién-1-oïque [French] [ACD/IUPAC Name]
Prosta-5,12,14-trien-1-oic-3,3,4,4-d4 acid, 9-hydroxy-11-oxo-, (5Z,9α,12E,14E)- [ACD/Index Name]
15-deoxy-Δ12,14-Prostaglandin D2-d4

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

Density: 1.1±0.1 g/cm3
Boiling Point: 535.0±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: 291.4±26.6 °C
Index of Refraction: 1.563
Molar Refractivity: 97.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 61.06
ACD/KOC (pH 5.5): 386.44
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.17
Polar Surface Area: 75 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 300.4±3.0 cm3

Click to predict properties on the Chemicalize site


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