ChemSpider 2D Image | (2R)-3-[(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaenoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | C48H80NO8P

(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaenoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC48H80NO8P
  • Average mass830.125 Da
  • Monoisotopic mass829.562134 Da
  • ChemSpider ID24767360

  • 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,19Z)-7,10,13,16,19-Docosapentaenoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaenoyloxy]-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,19Z)-1-oxo-7,10,13,16,19-docosapentaen-1-yl]oxy]-2-[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inne r salt [ACD/Index Name]
Phosphate de (2R)-3-[(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoyloxy]-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,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
1-Docosapentaenoyl-2-a-linolenoyl-sn-glycero-3-phosphocholine
1-Docosapentaenoyl-2-α-linolenoyl-sn-glycero-3-phosphocholine
GPCho(22:5/18:3)
GPCho(22:5n3/18:3n3)
GPCho(22:5w3/18:3w3)
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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: 40
#Rule of 5 Violations: 2
ACD/LogP: 10.34
ACD/LogD (pH 5.5): 7.76
ACD/BCF (pH 5.5): 647619.38
ACD/KOC (pH 5.5): 744449.50
ACD/LogD (pH 7.4): 7.76
ACD/BCF (pH 7.4): 647641.44
ACD/KOC (pH 7.4): 744474.81
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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