ChemSpider 2D Image | (5R,6Z,8E,12R,14Z)-5,12,20,20,20-Pentahydroxy-6,8,14-icosatrienoic acid | C20H34O7

(5R,6Z,8E,12R,14Z)-5,12,20,20,20-Pentahydroxy-6,8,14-icosatrienoic acid

  • Molecular FormulaC20H34O7
  • Average mass386.480 Da
  • Monoisotopic mass386.230438 Da
  • ChemSpider ID30776623

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5R,6Z,8E,12R,14Z)-5,12,20,20,20-Pentahydroxy-6,8,14-icosatrienoic acid [ACD/IUPAC Name]
(5R,6Z,8E,12R,14Z)-5,12,20,20,20-Pentahydroxy-6,8,14-icosatriensäure [German] [ACD/IUPAC Name]
6,8,14-Eicosatrienoic acid, 5,12,20,20,20-pentahydroxy-, (5R,6Z,8E,12R,14Z)- [ACD/Index Name]
Acide (5R,6Z,8E,12R,14Z)-5,12,20,20,20-pentahydroxy-6,8,14-icosatriénoïque [French] [ACD/IUPAC Name]
(5R,6Z,8E,12R,14Z)-5,12,20,20,20-pentahydroxyicosa-6,8,14-trienoic acid
(5S,12R,20)-pentahydroxy-(6Z,8E,14Z)-eicosatrienoate
(5S,12R,20)-pentahydroxy-(6Z,8E,14Z)-eicosatrienoic acid
(5S,12R,20)-pentahydroxy-(6Z,8E,14Z)-eicosatrienoic acid anion
10,11-dihydro-20-trihydroxy-leukotriene B4

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 595.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.8±6.0 kJ/mol
Flash Point: 327.8±26.6 °C
Index of Refraction: 1.558
Molar Refractivity: 104.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: -0.14
ACD/LogD (pH 5.5): -1.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.94
ACD/LogD (pH 7.4): -3.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 322.5±3.0 cm3

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