ChemSpider 2D Image | (5Z,8beta,11alpha,12xi,13E,15S)-11,15-Dihydroxy-9-oxoprosta-5,13-dien-1-oic acid | C20H32O5

(5Z,8β,11α,12ξ,13E,15S)-11,15-Dihydroxy-9-oxoprosta-5,13-dien-1-oic acid

  • Molecular FormulaC20H32O5
  • Average mass352.465 Da
  • Monoisotopic mass352.224976 Da
  • ChemSpider ID29361785
  • 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

(5Z,8β,11α,12ξ,13E,15S)-11,15-Dihydroxy-9-oxoprosta-5,13-dien-1-oic acid [ACD/IUPAC Name]
(5Z,8β,11α,12ξ,13E,15S)-11,15-Dihydroxy-9-oxoprosta-5,13-dien-1-säure [German] [ACD/IUPAC Name]
Acide (5Z,8β,11α,12ξ,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dién-1-oïque [French] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic acid, 11,15-dihydroxy-9-oxo-, (5Z,8β,11α,12ξ,13E,15S)- [ACD/Index Name]
[27415-25-4]
27415-25-4 [RN]
8-iso Prostaglandin E2
8-iso Prostaglandin E2-d4
8-ISOPROSTAGLANDINE2
MFCD00065747

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

Density: 1.1±0.1 g/cm3
Boiling Point: 530.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.6±6.0 kJ/mol
Flash Point: 288.5±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: 1.88
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 6.98
ACD/KOC (pH 5.5): 81.89
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.31
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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