ChemSpider 2D Image | (2R)-2-[(4E,7E,10E,13E,16E)-4,7,10,13,16-Docosapentaenoyloxy]-3-[(9E)-9-tetradecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | C44H76NO8P

(2R)-2-[(4E,7E,10E,13E,16E)-4,7,10,13,16-Docosapentaenoyloxy]-3-[(9E)-9-tetradecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC44H76NO8P
  • Average mass778.050 Da
  • Monoisotopic mass777.530884 Da
  • ChemSpider ID59694907

  • 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-[(4E,7E,10E,13E,16E)-4,7,10,13,16-Docosapentaenoyloxy]-3-[(9E)-9-tetradecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(4E,7E,10E,13E,16E)-4,7,10,13,16-Docosapentaenoyloxy]-3-[(9E)-9-tetradecenoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-2-[[(4E,7E,10E,13E,16E)-1-oxo-4,7,10,13,16-docosapentaen-1-yl]oxy]-3-[[(9E)-1-oxo-9-tetradecen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-[(4E,7E,10E,13E,16E)-4,7,10,13,16-docosapentaenoyloxy]-3-[(9E)-9-tetradecenoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-2-(docosa-4,7,10,13,16-pentaenoyloxy)-3-(tetradec-9-enoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
1-Myristoleoyl-2-docosapentaenoyl-sn-glycero-3-phosphocholine
1-Myristoleoyl-2-osbondoyl-sn-glycero-3-phosphocholine
GPCho(14:1/22:5)
GPCho(14:1n5/22:5n6)
GPCho(14:1w5/22:5w6)
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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, 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: 38
#Rule of 5 Violations: 2
ACD/LogP: 9.60
ACD/LogD (pH 5.5): 7.51
ACD/BCF (pH 5.5): 422152.81
ACD/KOC (pH 5.5): 548032.44
ACD/LogD (pH 7.4): 7.51
ACD/BCF (pH 7.4): 422167.19
ACD/KOC (pH 7.4): 548051.06
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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