ChemSpider 2D Image | 1-[(11Z)-octadecenoyl]-2-octadecanoyl-sn-glycero-3-phosphocholine | C44H86NO8P

1-[(11Z)-octadecenoyl]-2-octadecanoyl-sn-glycero-3-phosphocholine

  • Molecular FormulaC44H86NO8P
  • Average mass788.129 Da
  • Monoisotopic mass787.609131 Da
  • ChemSpider ID24766733

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-3-[(11Z)-11-Octadecenoyloxy]-2-(stearoyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-[(11Z)-11-Octadecenoyloxy]-2-(stearoyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
1-[(11Z)-octadecenoyl]-2-octadecanoyl-sn-glycero-3-phosphocholine
Ethanaminium, 2-[[hydroxy[(2R)-3-[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]-2-[(1-oxooctadecyl)oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-3-[(11Z)-11-octadecenoyloxy]-2-(stearoyloxy)propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2R)-2-(octadecanoyloxy)-3-{[(11Z)-octadec-11-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
1-(11Z-octadecenoyl)-2-octadecanoyl-sn-glycero-3-phosphocholine
1-Vaccenoyl-2-stearoyl-sn-glycero-3-phosphocholine
GPCho(18:1/18:0)
GPCho(18:1n7/18:0)
More...

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

  • Miscellaneous

    • Chemical Class:

      A 1-octadecanoyl-2-octadecenoyl-<ital>sn</ital>-glycero-3-phosphocholine in which the acyl groups specified at positions 1 and 2 are (11<stereo>Z</stereo>)-octadecenoyl and octadecanoyl respectively. ChEBI CHEBI:86111
      A 1-octadecanoyl-2-octadecenoyl-sn-glycero-3-phosphocholine in which the acyl groups specified at positions 1 and 2 are (11Z)-octadecenoyl and octadecanoyl respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:86111, CHEBI:86111

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: 9
#H bond donors: 1
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 2
ACD/LogP: 12.48
ACD/LogD (pH 5.5): 11.02
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.02
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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