ChemSpider 2D Image | (5E,9alpha,15S)-9,15-Dihydroxy-11-methyleneprosta-5,13-dien-1-oic acid | C21H34O4

(5E,9α,15S)-9,15-Dihydroxy-11-methyleneprosta-5,13-dien-1-oic acid

  • Molecular FormulaC21H34O4
  • Average mass350.492 Da
  • Monoisotopic mass350.245697 Da
  • ChemSpider ID114815640

  • 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

(5E,9α,15S)-9,15-Dihydroxy-11-methyleneprosta-5,13-dien-1-oic acid [ACD/IUPAC Name]
(5E,9α,15S)-9,15-Dihydroxy-11-methylenprosta-5,13-dien-1-säure [German] [ACD/IUPAC Name]
Acide (5E,9α,15S)-9,15-dihydroxy-11-méthylèneprosta-5,13-dién-1-oïque [French] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic acid, 9,15-dihydroxy-11-methylene-, (5E,9α,15S)- [ACD/Index Name]
100648-29-1 [RN]
11-deoxy-11-methylene-PGD2

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

Density: 1.1±0.1 g/cm3
Boiling Point: 521.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.5±6.0 kJ/mol
Flash Point: 283.4±26.6 °C
Index of Refraction: 1.529
Molar Refractivity: 101.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 51.89
ACD/KOC (pH 5.5): 345.19
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.52
Polar Surface Area: 78 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 328.3±5.0 cm3

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