ChemSpider 2D Image | (5E,9alpha,11alpha,13E,15S)-11-[(2,2-Dimethylpropanoyl)oxy]-9-hydroxy-15-(isobutyryloxy)prosta-5,13-dien-1-oic acid | C29H48O7

(5E,9α,11α,13E,15S)-11-[(2,2-Dimethylpropanoyl)oxy]-9-hydroxy-15-(isobutyryloxy)prosta-5,13-dien-1-oic acid

  • Molecular FormulaC29H48O7
  • Average mass508.687 Da
  • Monoisotopic mass508.339996 Da
  • ChemSpider ID8133541

  • 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

(5E,9α,11α,13E,15S)-11-[(2,2-Dimethylpropanoyl)oxy]-9-hydroxy-15-(isobutyryloxy)prosta-5,13-dien-1-oic acid [ACD/IUPAC Name]
(5E,9α,11α,13E,15S)-11-[(2,2-Dimethylpropanoyl)oxy]-9-hydroxy-15-(isobutyryloxy)prosta-5,13-dien-1-säure [German] [ACD/IUPAC Name]
Acide (5E,9α,11α,13E,15S)-11-[(2,2-diméthylpropanoyl)oxy]-9-hydroxy-15-(isobutyryloxy)prosta-5,13-dién-1-oïque [French] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic acid, 11-(2,2-dimethyl-1-oxopropoxy)-9-hydroxy-15-(2-methyl-1-oxopropoxy)-, (5E,9α,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: 603.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.0±6.0 kJ/mol
Flash Point: 184.2±25.0 °C
Index of Refraction: 1.509
Molar Refractivity: 140.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 6.21
ACD/LogD (pH 5.5): 5.51
ACD/BCF (pH 5.5): 5748.09
ACD/KOC (pH 5.5): 10044.09
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 91.88
ACD/KOC (pH 7.4): 160.54
Polar Surface Area: 110 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 43.4±5.0 dyne/cm
Molar Volume: 472.1±5.0 cm3

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