ChemSpider 2D Image | Methyl (5Z,9alpha,11alpha,13E,15S)-11-acetoxy-9,15-dihydroxy-18-oxoprosta-5,13-dien-1-oate | C23H36O7

Methyl (5Z,9α,11α,13E,15S)-11-acetoxy-9,15-dihydroxy-18-oxoprosta-5,13-dien-1-oate

  • Molecular FormulaC23H36O7
  • Average mass424.528 Da
  • Monoisotopic mass424.246094 Da
  • ChemSpider ID34981272

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5Z,9α,11α,13E,15S)-11-Acétoxy-9,15-dihydroxy-18-oxoprosta-5,13-dién-1-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (5Z,9α,11α,13E,15S)-11-acetoxy-9,15-dihydroxy-18-oxoprosta-5,13-dien-1-oate [ACD/IUPAC Name]
Methyl-(5Z,9α,11α,13E,15S)-11-acetoxy-9,15-dihydroxy-18-oxoprosta-5,13-dien-1-oat [German] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic acid, 11-(acetyloxy)-9,15-dihydroxy-18-oxo-, methyl ester, (5Z,9α,11α,13E,15S)- [ACD/Index Name]
methyl 18-oxo-9S,15S-dihydroxy-11R-acetoxy-5Z,13E-prostadienoate
sarcoehrendin E

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

Density: 1.1±0.1 g/cm3
Boiling Point: 553.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.8±6.0 kJ/mol
Flash Point: 179.8±23.6 °C
Index of Refraction: 1.516
Molar Refractivity: 113.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.74
ACD/KOC (pH 5.5): 394.66
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.74
ACD/KOC (pH 7.4): 394.66
Polar Surface Area: 110 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 374.5±5.0 cm3

Click to predict properties on the Chemicalize site


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