ChemSpider 2D Image | (5R,6R,7E,9E,11Z,13E,15R)-5,6,15-Trihydroxy-7,9,11,13-icosatetraenoic acid | C20H32O5

(5R,6R,7E,9E,11Z,13E,15R)-5,6,15-Trihydroxy-7,9,11,13-icosatetraenoic acid

  • Molecular FormulaC20H32O5
  • Average mass352.465 Da
  • Monoisotopic mass352.224976 Da
  • ChemSpider ID30776639
  • 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

(5R,6R,7E,9E,11Z,13E,15R)-5,6,15-Trihydroxy-7,9,11,13-icosatetraenoic acid [ACD/IUPAC Name]
(5R,6R,7E,9E,11Z,13E,15R)-5,6,15-Trihydroxy-7,9,11,13-icosatetraensäure [German] [ACD/IUPAC Name]
7,9,11,13-Eicosatetraenoic acid, 5,6,15-trihydroxy-, (5R,6R,7E,9E,11Z,13E,15R)- [ACD/Index Name]
Acide (5R,6R,7E,9E,11Z,13E,15R)-5,6,15-trihydroxy-7,9,11,13-icosatétraénoïque [French] [ACD/IUPAC Name]
(5R,6R,7E,9E,11Z,13E,15R)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid
15-epi-lipoxin A4
15-Epi-LXA(,4)
5(S),6(R),15(R)-Trihydroxy-7,9,13-trans-11-cis eicosatetraenoate
5(S),6(R),15(R)-Trihydroxy-7,9,13-trans-11-cis eicosatetraenoic acid
5(S),6(R),15(R)-Trihydroxy-7,9,13-trans-11-cis eicosatetraenoic acid anion
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 589.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.0±6.0 kJ/mol
Flash Point: 324.3±26.6 °C
Index of Refraction: 1.541
Molar Refractivity: 101.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 5.10
ACD/KOC (pH 5.5): 62.00
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 321.4±3.0 cm3

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