ChemSpider 2D Image | (12xi,13E,15S)-15-Hydroxy-15-methyl-9-oxoprost-13-en-1-oic acid | C21H36O4

(12ξ,13E,15S)-15-Hydroxy-15-methyl-9-oxoprost-13-en-1-oic acid

  • Molecular FormulaC21H36O4
  • Average mass352.508 Da
  • Monoisotopic mass352.261353 Da
  • ChemSpider ID34241618

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(12ξ,13E,15S)-15-Hydroxy-15-methyl-9-oxoprost-13-en-1-oic acid [ACD/IUPAC Name]
(12ξ,13E,15S)-15-Hydroxy-15-methyl-9-oxoprost-13-en-1-säure [German] [ACD/IUPAC Name]
Acide (12ξ,13E,15S)-15-hydroxy-15-méthyl-9-oxoprost-13-én-1-oïque [French] [ACD/IUPAC Name]
Prost-13-en-1-oic acid, 15-hydroxy-15-methyl-9-oxo-, (12ξ,13E,15S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 515.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.7±6.0 kJ/mol
Flash Point: 279.9±22.4 °C
Index of Refraction: 1.528
Molar Refractivity: 102.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 197.52
ACD/KOC (pH 5.5): 906.45
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 3.17
ACD/KOC (pH 7.4): 14.53
Polar Surface Area: 75 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 332.4±3.0 cm3

Click to predict properties on the Chemicalize site


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