ChemSpider 2D Image | (13E,15S)-15-hydroxy-9-oxoprosta-8(12),13-dien-1-oate | C20H31O4

(13E,15S)-15-hydroxy-9-oxoprosta-8(12),13-dien-1-oate

  • Molecular FormulaC20H31O4
  • Average mass335.458 Da
  • Monoisotopic mass335.222778 Da
  • ChemSpider ID58170388
  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(13E,15S)-15-Hydroxy-9-oxoprosta-8(12),13-dien-1-oat [German] [ACD/IUPAC Name]
(13E,15S)-15-hydroxy-9-oxoprosta-8(12),13-dien-1-oate [ACD/IUPAC Name]
(13E,15S)-15-Hydroxy-9-oxoprosta-8(12),13-dién-1-oate [French] [ACD/IUPAC Name]
Prosta-8(12),13-dien-1-oic acid, 15-hydroxy-9-oxo-, ion(1-), (13E,15S)- [ACD/Index Name]
PGB1
Prostaglandin B(1)(1-)
Prostaglandin B1
prostaglandin B1(1-)

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

Density:
Boiling Point: 531.4±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.8±6.0 kJ/mol
Flash Point: 289.2±24.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 95.04
ACD/KOC (pH 5.5): 535.06
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 1.52
ACD/KOC (pH 7.4): 8.56
Polar Surface Area: 77 Å2
Polarizability:
Surface Tension:
Molar Volume:

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