ChemSpider 2D Image | (8xi,11alpha,13E,15S,17Z)-11,15-Dihydroxy-9-oxoprosta-13,17-dien-1-oic acid | C20H32O5

(8ξ,11α,13E,15S,17Z)-11,15-Dihydroxy-9-oxoprosta-13,17-dien-1-oic acid

  • Molecular FormulaC20H32O5
  • Average mass352.465 Da
  • Monoisotopic mass352.224976 Da
  • ChemSpider ID48063619

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(8ξ,11α,13E,15S,17Z)-11,15-Dihydroxy-9-oxoprosta-13,17-dien-1-oic acid [ACD/IUPAC Name]
(8ξ,11α,13E,15S,17Z)-11,15-Dihydroxy-9-oxoprosta-13,17-dien-1-säure [German] [ACD/IUPAC Name]
Acide (8ξ,11α,13E,15S,17Z)-11,15-dihydroxy-9-oxoprosta-13,17-dién-1-oïque [French] [ACD/IUPAC Name]
Prosta-13,17-dien-1-oic acid, 11,15-dihydroxy-9-oxo-, (8ξ,11α,13E,15S,17Z)- [ACD/Index Name]
??17-Prostaglandin E1
?17-Prostaglandin E1
7046-45-9 [RN]
9-oxo-11?,15S-dihydroxy-prosta-13E,17Z-dien-1-oic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 539.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.0±6.0 kJ/mol
Flash Point: 294.4±26.6 °C
Index of Refraction: 1.561
Molar Refractivity: 99.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 3.34
ACD/KOC (pH 5.5): 48.87
ACD/LogD (pH 7.4): -0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 306.8±3.0 cm3

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