ChemSpider 2D Image | (2R)-3-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | C48H82NO8P

(2R)-3-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC48H82NO8P
  • Average mass832.140 Da
  • Monoisotopic mass831.577820 Da
  • ChemSpider ID24767294

  • 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-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-[[(7Z,10Z,13Z,16Z)-1-oxo-7,10,13,16-docosatetraen-1-yl]oxy]-2-[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-3-[(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
1-(7Z,10Z,13Z,16Z-docosatetraenoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-glycero-3-phosphocholine
1-Adrenoyl-2-a-linolenoyl-sn-glycero-3-phosphocholine
1-Adrenoyl-2-α-linolenoyl-sn-glycero-3-phosphocholine
GPCho(22:4/18:3)
GPCho(22:4n6/18:3n3)
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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: 41
#Rule of 5 Violations: 2
ACD/LogP: 11.02
ACD/LogD (pH 5.5): 8.45
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1778375.13
ACD/LogD (pH 7.4): 8.45
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1778435.63
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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