ChemSpider 2D Image | 3-{[(5E,8E,10E,14E)-12-Hydroperoxy-5,8,10,14-icosatetraenoyl]oxy}-4-(trimethylammonio)butanoate | C27H45NO6

3-{[(5E,8E,10E,14E)-12-Hydroperoxy-5,8,10,14-icosatetraenoyl]oxy}-4-(trimethylammonio)butanoate

  • Molecular FormulaC27H45NO6
  • Average mass479.649 Da
  • Monoisotopic mass479.324677 Da
  • ChemSpider ID128529974

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Propanaminium, 3-carboxy-2-[[(5E,8E,10E,14E)-12-hydroperoxy-1-oxo-5,8,10,14-eicosatetraen-1-yl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
3-{[(5E,8E,10E,14E)-12-Hydroperoxy-5,8,10,14-icosatetraenoyl]oxy}-4-(trimethylammonio)butanoat [German] [ACD/IUPAC Name]
3-{[(5E,8E,10E,14E)-12-Hydroperoxy-5,8,10,14-icosatetraenoyl]oxy}-4-(trimethylammonio)butanoate [ACD/IUPAC Name]
3-{[(5E,8E,10E,14E)-12-Hydroperoxy-5,8,10,14-icosatetraenoyl]oxy}-4-(triméthylammonio)butanoate [French] [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 36.52
ACD/KOC (pH 5.5): 675.96
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 36.72
ACD/KOC (pH 7.4): 679.65
Polar Surface Area: 96 Å2
Polarizability:
Surface Tension:
Molar Volume:

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