ChemSpider 2D Image | (2R)-2-[(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaenoyloxy]-3-[(1Z,11Z)-1,11-octadecadien-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate | C48H84NO7P

(2R)-2-[(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaenoyloxy]-3-[(1Z,11Z)-1,11-octadecadien-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC48H84NO7P
  • Average mass818.157 Da
  • Monoisotopic mass817.598511 Da
  • ChemSpider ID24767568
  • 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-[(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaenoyloxy]-3-[(1Z,11Z)-1,11-octadecadien-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaenoyloxy]-3-[(1Z,11Z)-1,11-octadecadien-1-yloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-[(1Z,11Z)-1,11-octadecadien-1-yloxy]-2-[[(4Z,7Z,10Z,13Z,16Z)-1-oxo-4,7,10,13,16-docosapentaen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-[(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoyloxy]-3-[(1Z,11Z)-1,11-octadécadién-1-yloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(1Z,11Z)-octadeca-1,11-dien-1-yloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
1-(1-Enyl-vaccenoyl)-2-docosapentaenoyl-sn-glycero-3-phosphocholine
1-(1-Enyl-vaccenoyl)-2-osbondoyl-sn-glycero-3-phosphocholine
GPCho(18:1/22:5)
GPCho(18:1n7/22:5n6)
GPCho(18:1w7/22:5w6)
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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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 12.30
ACD/LogD (pH 5.5): 9.19
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4438633.00
ACD/LogD (pH 7.4): 9.19
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4438789.00
Polar Surface Area: 104 Å2
Polarizability:
Surface Tension:
Molar Volume:

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