ChemSpider 2D Image | (2S)-1-Hydroxy-3-[(8-{3-[(2Z)-2-octen-1-yl]-2-oxiranyl}octanoyl)oxy]-2-propanyl icosanoate | C41H76O6

(2S)-1-Hydroxy-3-[(8-{3-[(2Z)-2-octen-1-yl]-2-oxiranyl}octanoyl)oxy]-2-propanyl icosanoate

  • Molecular FormulaC41H76O6
  • Average mass665.039 Da
  • Monoisotopic mass664.564209 Da
  • ChemSpider ID117215547

  • 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

(2S)-1-Hydroxy-3-[(8-{3-[(2Z)-2-octen-1-yl]-2-oxiranyl}octanoyl)oxy]-2-propanyl icosanoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(8-{3-[(2Z)-2-octen-1-yl]-2-oxiranyl}octanoyl)oxy]-2-propanyl-icosanoat [German] [ACD/IUPAC Name]
2-Oxiraneoctanoic acid, 3-[(2Z)-2-octen-1-yl]-, (2S)-3-hydroxy-2-[(1-oxoeicosyl)oxy]propyl ester [ACD/Index Name]
Icosanoate de (2S)-1-hydroxy-3-[(8-{3-[(2Z)-2-octén-1-yl]-2-oxiranyl}octanoyl)oxy]-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 695.9±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.5±6.0 kJ/mol
Flash Point: 191.6±16.4 °C
Index of Refraction: 1.478
Molar Refractivity: 196.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 15.21
ACD/LogD (pH 5.5): 13.87
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.87
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 85 Å2
Polarizability: 78.0±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 695.6±3.0 cm3

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