ChemSpider 2D Image | (5E,8E,13E,15S)-11,12,15-Trihydroxy-5,8,13-icosatrienoic acid | C20H34O5

(5E,8E,13E,15S)-11,12,15-Trihydroxy-5,8,13-icosatrienoic acid

  • Molecular FormulaC20H34O5
  • Average mass354.481 Da
  • Monoisotopic mass354.240631 Da
  • ChemSpider ID59696951

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(5E,8E,13E,15S)-11,12,15-Trihydroxy-5,8,13-icosatrienoic acid [ACD/IUPAC Name]
(5E,8E,13E,15S)-11,12,15-Trihydroxy-5,8,13-icosatriensäure [German] [ACD/IUPAC Name]
5,8,13-Eicosatrienoic acid, 11,12,15-trihydroxy-, (5E,8E,13E,15S)- [ACD/Index Name]
Acide (5E,8E,13E,15S)-11,12,15-trihydroxy-5,8,13-icosatriénoïque [French] [ACD/IUPAC Name]
(15S)-11,12,15-trihydroxyicosa-5,8,13-trienoic acid
11,12,15-THETA

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

Density: 1.1±0.1 g/cm3
Boiling Point: 564.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.5±6.0 kJ/mol
Flash Point: 309.5±26.6 °C
Index of Refraction: 1.528
Molar Refractivity: 100.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 9.30
ACD/KOC (pH 5.5): 100.48
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.60
Polar Surface Area: 98 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 327.8±3.0 cm3

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