ChemSpider 2D Image | Methyl (5Z,8Z,11R,12E)-13-[(2R,4R,5S)-2-methoxy-5-pentyl-1,3-dioxolan-4-yl]-11-({[(2-methyl-2-propanyl)oxy]carbonyl}oxy)-5,8,12-tridecatrienoate | C28H46O8

Methyl (5Z,8Z,11R,12E)-13-[(2R,4R,5S)-2-methoxy-5-pentyl-1,3-dioxolan-4-yl]-11-({[(2-methyl-2-propanyl)oxy]carbonyl}oxy)-5,8,12-tridecatrienoate

  • Molecular FormulaC28H46O8
  • Average mass510.660 Da
  • Monoisotopic mass510.319275 Da
  • ChemSpider ID9759088

  • 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

(5Z,8Z,11R,12E)-13-[(2R,4R,5S)-2-Méthoxy-5-pentyl-1,3-dioxolan-4-yl]-11-({[(2-méthyl-2-propanyl)oxy]carbonyl}oxy)-5,8,12-tridécatriénoate de méthyle [French] [ACD/IUPAC Name]
5,8,12-Tridecatrienoic acid, 11-[[(1,1-dimethylethoxy)carbonyl]oxy]-13-[(2R,4R,5S)-2-methoxy-5-pentyl-1,3-dioxolan-4-yl]-, methyl ester, (5Z,8Z,11R,12E)- [ACD/Index Name]
Methyl (5Z,8Z,11R,12E)-13-[(2R,4R,5S)-2-methoxy-5-pentyl-1,3-dioxolan-4-yl]-11-({[(2-methyl-2-propanyl)oxy]carbonyl}oxy)-5,8,12-tridecatrienoate [ACD/IUPAC Name]
Methyl-(5Z,8Z,11R,12E)-13-[(2R,4R,5S)-2-methoxy-5-pentyl-1,3-dioxolan-4-yl]-11-({[(2-methyl-2-propanyl)oxy]carbonyl}oxy)-5,8,12-tridecatrienoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 567.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 235.5±30.2 °C
Index of Refraction: 1.494
Molar Refractivity: 140.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 6.33
ACD/BCF (pH 5.5): 38160.45
ACD/KOC (pH 5.5): 66237.23
ACD/LogD (pH 7.4): 6.33
ACD/BCF (pH 7.4): 38160.45
ACD/KOC (pH 7.4): 66237.23
Polar Surface Area: 90 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 39.5±5.0 dyne/cm
Molar Volume: 480.8±5.0 cm3

Click to predict properties on the Chemicalize site


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