ChemSpider 2D Image | Butyl (11alpha,13E,15R)-9-(butyryloxy)-11,15-dihydroxyprosta-8,13-dien-1-oate | C28H48O6

Butyl (11α,13E,15R)-9-(butyryloxy)-11,15-dihydroxyprosta-8,13-dien-1-oate

  • Molecular FormulaC28H48O6
  • Average mass480.677 Da
  • Monoisotopic mass480.345093 Da
  • ChemSpider ID57515148

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(11α,13E,15R)-9-(Butyryloxy)-11,15-dihydroxyprosta-8,13-dién-1-oate de butyle [French] [ACD/IUPAC Name]
Butyl (11α,13E,15R)-9-(butyryloxy)-11,15-dihydroxyprosta-8,13-dien-1-oate [ACD/IUPAC Name]
Butyl-(11α,13E,15R)-9-(butyryloxy)-11,15-dihydroxyprosta-8,13-dien-1-oat [German] [ACD/IUPAC Name]
Prosta-8,13-dien-1-oic acid, 11,15-dihydroxy-9-(1-oxobutoxy)-, butyl ester, (11α,13E,15R)- [ACD/Index Name]
BUTYL 7-[(4R,5R)-2-(BUTANOYLOXY)-4-HYDROXY-5-[(1E,3R)-3-HYDROXYOCT-1-EN-1-YL]CYCLOPENT-1-EN-1-YL]HEPTANOATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 580.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.7±6.0 kJ/mol
Flash Point: 177.9±23.6 °C
Index of Refraction: 1.506
Molar Refractivity: 135.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 1
ACD/LogP: 6.92
ACD/LogD (pH 5.5): 6.52
ACD/BCF (pH 5.5): 53294.94
ACD/KOC (pH 5.5): 84128.55
ACD/LogD (pH 7.4): 6.52
ACD/BCF (pH 7.4): 53294.94
ACD/KOC (pH 7.4): 84128.55
Polar Surface Area: 93 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 42.9±5.0 dyne/cm
Molar Volume: 456.7±5.0 cm3

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