ChemSpider 2D Image | PC(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)) | C46H82NO8P

PC(20:1(11Z)/18:4(6Z,9Z,12Z,15Z))

  • Molecular FormulaC46H82NO8P
  • Average mass808.119 Da
  • Monoisotopic mass807.577820 Da
  • ChemSpider ID24766967
  • 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-Icosenoyloxy]-2-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-[(11Z)-11-Icosenoyloxy]-2-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-[[(11Z)-1-oxo-11-eicosen-1-yl]oxy]-2-[[(6Z,9Z,12Z,15Z)-1-oxo-6,9,12,15-octadecatetraen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
PC(20:1(11Z)/18:4(6Z,9Z,12Z,15Z))
Phosphate de (2R)-3-[(11Z)-11-icosenoyloxy]-2-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyle et de 2-(trim├ęthylammonio)├ęthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-3-[(11Z)-icos-11-enoyloxy]-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
1-Eicosenoyl-2-stearidonoyl-sn-glycero-3-phosphocholine
BMDB
GPCho(20:1/18:4)
GPCho(20:1n9/18:4n3)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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: 41
#Rule of 5 Violations: 2
ACD/LogP: 11.22
ACD/LogD (pH 5.5): 9.03
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3636445.25
ACD/LogD (pH 7.4): 9.03
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3636569.00
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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