ChemSpider 2D Image | Prostaglandin E2 isopropyl ester | C23H38O5

Prostaglandin E2 isopropyl ester

  • Molecular FormulaC23H38O5
  • Average mass394.545 Da
  • Monoisotopic mass394.271912 Da
  • ChemSpider ID29342015

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5Z,11α,13E,15S)-11,15-Dihydroxy-9-oxoprosta-5,13-dién-1-oate d'isopropyle [French] [ACD/IUPAC Name]
71845-66-4 [RN]
Isopropyl (5Z,11α,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oate [ACD/IUPAC Name]
Isopropyl-(5Z,11α,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oat [German] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic acid, 11,15-dihydroxy-9-oxo-, 1-methylethyl ester, (5Z,11α,13E,15S)- [ACD/Index Name]
Prostaglandin E2 isopropyl ester
(Z)-Isopropyl 7-((1R,2R,3R)-3-hydroxy-2-((S,E)-3-hydroxyoct-1-en-1-yl)-5-oxocyclopentyl)hept-5-enoate
[71845-66-4] [RN]
9-oxo-11?,15S-dihydroxy-prosta-5Z,13E-dien-1-oic acid, isopropyl ester
9-Oxo-11α,15S-dihydroxyprosta-5Z,13E-dien-1-oic acid, isopropyl ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 511.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.1±6.0 kJ/mol
Flash Point: 164.4±23.6 °C
Index of Refraction: 1.532
Molar Refractivity: 113.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 226.59
ACD/KOC (pH 5.5): 1688.44
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 226.59
ACD/KOC (pH 7.4): 1688.44
Polar Surface Area: 84 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 365.6±3.0 cm3

Click to predict properties on the Chemicalize site


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