ChemSpider 2D Image | 1-palmitoyl-2-[(10E)-9-hydroperoxyoctadecenoyl]-sn-glycero-3-phosphocholine | C42H82NO10P

1-palmitoyl-2-[(10E)-9-hydroperoxyoctadecenoyl]-sn-glycero-3-phosphocholine

  • Molecular FormulaC42H82NO10P
  • Average mass792.075 Da
  • Monoisotopic mass791.567627 Da
  • ChemSpider ID34999380

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2R)-2-{[(10E)-9-Hydroperoxy-10-octadecenoyl]oxy}-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-{[(10E)-9-Hydroperoxy-10-octadecenoyl]oxy}-3-(palmitoyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
1-palmitoyl-2-[(10E)-9-hydroperoxyoctadecenoyl]-sn-glycero-3-phosphocholine
Ethanaminium, 2-[[[(2R)-2-[[(10E)-9-hydroperoxy-1-oxo-10-octadecen-1-yl]oxy]-3-[(1-oxohexadecyl)oxy]propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-{[(10E)-9-hydroperoxy-10-octadecenoyl]oxy}-3-(palmitoyloxy)propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2R)-3-(hexadecanoyloxy)-2-{[(10E)-9-hydroperoxyoctadec-10-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
1-hexadecanoyl-2-(9-hydroperoxy-10E-octadecenoyl)-sn -glycero-3-phosphocholine
1-hexadecanoyl-2-[(10E)-9-hydroperoxyoctadecenoyl]-sn-glycero-3-phosphocholine
1-hexadecanoyl-2-[9-hydroperoxy-(10E-octadecenoyl)]-sn-glycero-3-phosphocholine
  • Miscellaneous

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: 11
#H bond donors: 2
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 10.38
ACD/LogD (pH 5.5): 9.52
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6740135.00
ACD/LogD (pH 7.4): 9.52
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6740046.00
Polar Surface Area: 150 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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