ChemSpider 2D Image | (5R,6R,7E,9E,11Z)-5,6-Dihydroxy-15-oxo-7,9,11-icosatrienoic acid | C20H32O5

(5R,6R,7E,9E,11Z)-5,6-Dihydroxy-15-oxo-7,9,11-icosatrienoic acid

  • Molecular FormulaC20H32O5
  • Average mass352.465 Da
  • Monoisotopic mass352.224976 Da
  • ChemSpider ID30776637

  • 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,6R,7E,9E,11Z)-5,6-Dihydroxy-15-oxo-7,9,11-icosatrienoic acid [ACD/IUPAC Name]
(5R,6R,7E,9E,11Z)-5,6-Dihydroxy-15-oxo-7,9,11-icosatriensäure [German] [ACD/IUPAC Name]
7,9,11-Eicosatrienoic acid, 5,6-dihydroxy-15-oxo-, (5R,6R,7E,9E,11Z)- [ACD/Index Name]
Acide (5R,6R,7E,9E,11Z)-5,6-dihydroxy-15-oxo-7,9,11-icosatriénoïque [French] [ACD/IUPAC Name]
(5R,6R,7E,9E,11Z)-5,6-dihydroxy-15-oxoicosa-7,9,11-trienoic acid
(5S,6R)-dihydroxy-15-oxo-(7E,9E,11Z)-Eicosatrienoate
(5S,6R)-dihydroxy-15-oxo-(7E,9E,11Z)-Eicosatrienoic acid
13,14-Dihydro-15-oxo-lipoxin A4
13,14-Dihydro-15-oxo-LXA(,4)

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: 1.1±0.1 g/cm3
Boiling Point: 572.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.5±6.0 kJ/mol
Flash Point: 314.0±26.6 °C
Index of Refraction: 1.520
Molar Refractivity: 99.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 11.25
ACD/KOC (pH 5.5): 109.17
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.72
Polar Surface Area: 95 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 327.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement