ChemSpider 2D Image | (5Z,8beta,12alpha,13E,15S)-15-Hydroxy-9-oxoprosta-5,10,13-trien-1-oic acid | C20H30O4

(5Z,8β,12α,13E,15S)-15-Hydroxy-9-oxoprosta-5,10,13-trien-1-oic acid

  • Molecular FormulaC20H30O4
  • Average mass334.450 Da
  • Monoisotopic mass334.214417 Da
  • ChemSpider ID113369574

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5Z,8β,12α,13E,15S)-15-Hydroxy-9-oxoprosta-5,10,13-trien-1-oic acid [ACD/IUPAC Name]
(5Z,8β,12α,13E,15S)-15-Hydroxy-9-oxoprosta-5,10,13-trien-1-säure [German] [ACD/IUPAC Name]
Acide (5Z,8β,12α,13E,15S)-15-hydroxy-9-oxoprosta-5,10,13-trién-1-oïque [French] [ACD/IUPAC Name]
Prosta-5,10,13-trien-1-oic acid, 15-hydroxy-9-oxo-, (5Z,8β,12α,13E,15S)- [ACD/Index Name]
(15S)-15-A2-IsoP[8S,12R]
8-epi-15-A2-IsoP
9-oxo-15S-hydroxy-5Z,10,13E-prostatrienoic acid-cyclo[8S,12R]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 515.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.6±6.0 kJ/mol
Flash Point: 279.6±26.6 °C
Index of Refraction: 1.555
Molar Refractivity: 97.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 35.48
ACD/KOC (pH 5.5): 261.80
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.18
Polar Surface Area: 75 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 303.2±3.0 cm3

Click to predict properties on the Chemicalize site


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