ChemSpider 2D Image | (8beta,11alpha,12xi,13E,15S)-11,15-Dihydroxy-9-oxoprost-13-en-1-oic acid | C20H34O5

(8β,11α,12ξ,13E,15S)-11,15-Dihydroxy-9-oxoprost-13-en-1-oic acid

  • Molecular FormulaC20H34O5
  • Average mass354.481 Da
  • Monoisotopic mass354.240631 Da
  • ChemSpider ID29361786

  • 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

(8β,11α,12ξ,13E,15S)-11,15-Dihydroxy-9-oxoprost-13-en-1-oic acid [ACD/IUPAC Name]
(8β,11α,12ξ,13E,15S)-11,15-Dihydroxy-9-oxoprost-13-en-1-säure [German] [ACD/IUPAC Name]
Acide (8β,11α,12ξ,13E,15S)-11,15-dihydroxy-9-oxoprost-13-én-1-oïque [French] [ACD/IUPAC Name]
Prost-13-en-1-oic acid, 11,15-dihydroxy-9-oxo-, (8β,11α,12ξ,13E,15S)- [ACD/Index Name]
[21003-46-3] [RN]
8-iso Prostaglandin E1
8-ISOPROSTAGLANDINE1
MFCD00065736
PGE1, 8-iso

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

Density: 1.1±0.1 g/cm3
Boiling Point: 529.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.5±6.0 kJ/mol
Flash Point: 288.0±26.6 °C
Index of Refraction: 1.546
Molar Refractivity: 99.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 12.01
ACD/KOC (pH 5.5): 122.11
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.96
Polar Surface Area: 95 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 313.2±3.0 cm3

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