ChemSpider 2D Image | (2R)-2-[(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaenoyloxy]-3-[(1Z)-1-hexadecen-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate | C46H82NO7P

(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaenoyloxy]-3-[(1Z)-1-hexadecen-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC46H82NO7P
  • Average mass792.120 Da
  • Monoisotopic mass791.582886 Da
  • ChemSpider ID24767503
  • 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-[(1Z)-1-hexadecen-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaenoyloxy]-3-[(1Z)-1-hexadecen-1-yloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[[(2R)-3-[(1Z)-1-hexadecen-1-yloxy]-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-[(1Z)-1-hexadécén-1-yloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(1Z)-hexadec-1-en-1-yloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
PC(P-16:0/22:5(7Z,10Z,13Z,16Z,19Z))
Phosphatidylcholine(dm16:0/22:5(7Z,10Z,13Z,16Z,19Z))

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: 40
#Rule of 5 Violations: 2
ACD/LogP: 11.56
ACD/LogD (pH 5.5): 9.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 7942089.50
ACD/LogD (pH 7.4): 9.65
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 7942368.50
Polar Surface Area: 104 Å2
Polarizability:
Surface Tension:
Molar Volume:

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