ChemSpider 2D Image | 2-[(2-Ethyl-2-methylbutanoyl)oxy]ethyl (5Z,11alpha,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oate | C29H48O7

2-[(2-Ethyl-2-methylbutanoyl)oxy]ethyl (5Z,11α,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oate

  • Molecular FormulaC29H48O7
  • Average mass508.687 Da
  • Monoisotopic mass508.339996 Da
  • ChemSpider ID8634356

  • 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 de 2-[(2-éthyl-2-méthylbutanoyl)oxy]éthyle [French] [ACD/IUPAC Name]
2-[(2-Ethyl-2-methylbutanoyl)oxy]ethyl (5Z,11α,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oate [ACD/IUPAC Name]
2-[(2-Ethyl-2-methylbutanoyl)oxy]ethyl-(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-, 2-(2-ethyl-2-methyl-1-oxobutoxy)ethyl ester, (5Z,11α,13E,15S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 607.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.6±6.0 kJ/mol
Flash Point: 185.7±25.0 °C
Index of Refraction: 1.523
Molar Refractivity: 142.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.50
ACD/BCF (pH 5.5): 1549.96
ACD/KOC (pH 5.5): 6686.98
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 1549.96
ACD/KOC (pH 7.4): 6686.98
Polar Surface Area: 110 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 467.8±3.0 cm3

Click to predict properties on the Chemicalize site


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