ChemSpider 2D Image | (2R)-2-[(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaenoyloxy]-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate | C46H84NO7P

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

  • Molecular FormulaC46H84NO7P
  • Average mass794.135 Da
  • Monoisotopic mass793.598511 Da
  • ChemSpider ID24822871

  • 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-[(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaenoyloxy]-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaenoyloxy]-3-(hexadecyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[[(2R)-3-(hexadecyloxy)-2-[[(7Z,10Z,13Z,16Z,19Z)-1-oxo-7,10,13,16,19-docosapentaen-1-yl]oxy]propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-[(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoyloxy]-3-(hexadécyloxy)propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
1-hexadecyl-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phosphocholine
PC(O-16:0/22:5(7Z,10Z,13Z,16Z,19Z))
PC(O-16:0/22:5)
PC(O-16:0/22:6)
PC(O-38:5)

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: 8
#H bond donors: 1
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 11.49
ACD/LogD (pH 5.5): 9.61
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 7594194.50
ACD/LogD (pH 7.4): 9.61
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 7594461.50
Polar Surface Area: 104 Å2
Polarizability:
Surface Tension:
Molar Volume:

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