ChemSpider 2D Image | (5Z,9alpha,12xi,13E,15S)-9,15-Dihydroxy-15-methyl-11-oxoprosta-5,13-dien-1-oic acid | C21H34O5

(5Z,9α,12ξ,13E,15S)-9,15-Dihydroxy-15-methyl-11-oxoprosta-5,13-dien-1-oic acid

  • Molecular FormulaC21H34O5
  • Average mass366.492 Da
  • Monoisotopic mass366.240631 Da
  • ChemSpider ID23235935

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(5Z,9α,12ξ,13E,15S)-9,15-Dihydroxy-15-methyl-11-oxoprosta-5,13-dien-1-oic acid [ACD/IUPAC Name]
(5Z,9α,12ξ,13E,15S)-9,15-Dihydroxy-15-methyl-11-oxoprosta-5,13-dien-1-säure [German] [ACD/IUPAC Name]
Acide (5Z,9α,12ξ,13E,15S)-9,15-dihydroxy-15-méthyl-11-oxoprosta-5,13-dién-1-oïque [French] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic acid, 9,15-dihydroxy-15-methyl-11-oxo-, (5Z,9α,12ξ,13E,15S)- [ACD/Index Name]
7-[5-Hydroxy-2-(3-hydroxy-3-methyl-oct-1-enyl)-3-oxo-cyclopentyl]-hept-5-enoic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 554.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.0±6.0 kJ/mol
Flash Point: 303.0±26.6 °C
Index of Refraction: 1.557
Molar Refractivity: 103.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 17.06
ACD/KOC (pH 5.5): 155.47
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.48
Polar Surface Area: 95 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 323.0±3.0 cm3

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