ChemSpider 2D Image | (2R)-2-[(5Z,8Z,11Z)-5,8,11-Icosatrienoyloxy]-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | C46H78NO8P

(2R)-2-[(5Z,8Z,11Z)-5,8,11-Icosatrienoyloxy]-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC46H78NO8P
  • Average mass804.087 Da
  • Monoisotopic mass803.546509 Da
  • ChemSpider ID24766906

  • 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)-2-[(5Z,8Z,11Z)-5,8,11-Icosatrienoyloxy]-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(5Z,8Z,11Z)-5,8,11-Icosatrienoyloxy]-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-2-[[(5Z,8Z,11Z)-1-oxo-5,8,11-eicosatrien-1-yl]oxy]-3-[[(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]
Phosphate de (2R)-2-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
1-Stearidonoyl-2-meadoyl-sn-glycero-3-phosphocholine
GPCho(18:4/20:3)
GPCho(18:4n3/20:3n9)
GPCho(18:4w3/20:3w9)
GPCho(38:7)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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: 39
#Rule of 5 Violations: 2
ACD/LogP: 10.14
ACD/LogD (pH 5.5): 8.06
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1091343.50
ACD/LogD (pH 7.4): 8.06
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1091380.75
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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